void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fil_flg1[MAXSTR],
had_flg[MAXSTR],
shname1[MAXSTR],
shname2[MAXSTR],
ala_flg[MAXSTR],
ser_flg[MAXSTR],
SE_flg[MAXSTR], /* SE_flg */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double d3_init=0.0, /* used for states tppi in t2 */
stCwidth = 80.0,
shpw1,shpw2, /* t1 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
tauC1 = getval("tauC1"),
tauC2 = getval("tauC2"),
tauC3 = getval("tauC3"),
had2,had3,
timeTN = getval("timeTN"), /* constant time for 15N evolution */
eta = 4.6e-3,
theta = 14.0e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwS1, pwS2, pwS3, pwS4, pwS5,pwS6,pwS7,
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw2 = getval("sw2"),
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5"),
flip_angle=120.0,had1=0.0,
epsilon = getval("epsilon");
fil_flg1[0]='n';
ser_flg[0]='n'; /*initialize*/
getstr("f2180",f2180);
getstr("had_flg",had_flg);
getstr("shname1",shname1);
getstr("shname2",shname2);
getstr("TROSY",TROSY);
getstr("SE_flg",SE_flg);
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t3,4,phi3);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,8,phi12);
settable(t13,8,rec2);
/* INITIALIZE VARIABLES */
shpw1 = pw*8.0;
shpw2 = pwC*8.0;
kappa = 5.4e-3;
lambda = 2.4e-3;
had2=0.5/135.0;
had3=0.5/135.0;
ala_flg[0]='n';
if (had_flg[0] == '1')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '2')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '3')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '4')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '5')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '6')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '7')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '8')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1); }
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS4 = c_shapedpw("isnob5",80.0,0.0,zero, 2.0e-6, 2.0e-6);
pwS6 = c_shapedpw("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6); /* attention, y a aussi des 180 CaCb après les filtres*/
pwS7 = c_shapedpw(shname2,80.0,150.0,zero, 2.0e-6, 2.0e-6);
pwS5 = c_shapedpw("isnob5",30.0,0.0,zero, 2.0e-6, 2.0e-6);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else {
if (SE_flg[0]=='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else { if (phase2 == 2) {tsadd(t8,1,4); }
}
}
/* Set up f2180 */
tau2 = d3; /* run 2D exp for NH correlation, but must use tau2 instead of tau1
because bionmr.h is written for nh_evol* to do tau2 evolution*/
if((f2180[A] == 'y') && (ni2 > 1.0)) /* use f2180 to control tau2 */
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw1 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("cab");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(gstab);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
rgpulse(pw, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - WFG2_START_DELAY - 0.5e-3 + 68.0e-6 );
sim_c13adiab_inv_pulse("", "aliph", stCwidth, "sech1", 2.0*pw, 1.0e-3,
zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - 0.5e-3 + 68.0e-6);
rgpulse(pw, one, 0.0, 0.0);
if (ser_flg[0] == 'n' )
delay(pwS5);
if (ser_flg[0] == 'y' )
c_shapedpulse("isnob5",30.0,24.0,zero, 2.0e-6, 2.0e-6);
/*********************************** transfer CB->CA + DEPT CBH **************/
zgradpulse(gzlvl3, gt3*1.2);
delay(gstab);
decrgpulse(pwC, t3, 0.0, 0.0);
rgpulse(pw, three, 0.0, 0.0);
if (flip_angle > 90.0) delay(pw*(flip_angle/90.0-1));
if (fil_flg1[0] == 'y')
{
/* JCOCA & JCOCB is turned on*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-pwS7-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5-pwS7);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'n')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(epsilon/4.0-pwS7*0.5-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had2*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
if (had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5>0.0)
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(epsilon/4.0-pwS7*0.5-1.1*gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
}
else
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(epsilon/4.0-pwS7*0.5-had3*0.5-shpw1*0.5);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
}
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'c')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-1.1*gt3);
}
/*********************************** 2nd transfer CB->CA +DEPT CAH ***********/
decrgpulse(pwC, zero, 0.0, 0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC1-pwS3-pwS4*0.5);
c_shapedpulse("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6);
delay(tauC1-tauC2-pwS3-pwS4*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC2-pw*8.0-had1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(had1);
c13pulse("cab", "co", "square", 90.0, zero, 0.0, 0.0);
/******************************************************************************/
if(dm3[B] == 'y') /*optional 2H decoupling off */
{dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
h1decon("DIPSI2", 27.0, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0); /* point e */
decphase(zero);
delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
/* 2*POWER_DELAY+2*PWRF_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /* pwS2 */
dec2phase(zero);
delay(theta - eta - pwS2 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
if (SE_flg[0]=='y') /* point f */
{
nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
else
{
nh_evol_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR]; /* magic-angle coherence transfer gradients */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "biocal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a, /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwC6, /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8, /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power for pwHs pulse */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration */
if (autocal[0] == 'n')
{
/* offC3 - 180 degree pulse on Ca, null at CO 118ppm away */
pwC3a = getval("pwC3a");
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC6 = getval("pwC6");
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC8 = getval("pwC8");
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ; /* 7.5 kHz rf */
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
}
else /* if autocal = 'y'(yes), 'q'(quiet), 'r'(read) or 's'(semi) */
{
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = -bw;
offC3 = pbox_make("offC3", "square180n", bw, ofs, compC*pwC, pwClvl);
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
bw = 2.8*7500.0;
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC3a = offC3.pw; rf3 = offC3.pwrf; /* set up parameters */
pwC6 = offC6.pw; rf6 = offC6.pwrf;
pwC8 = offC8.pw; rf8 = offC8.pwrf;
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
tpwrd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
if (tpwrsf < 4095.0) tpwrs = tpwrs + 6.0;
/* the pwC3 pulse at the middle of t1 */
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
phshift3=0.0;
if(pwC3 > 0) phshift3 = 48.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - pwC3a - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (ni>1 || ni2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if(f1180[A] == 'y')
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if(f2180[A] == 'y')
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0) obspwrf(tpwrsf);
obspower(tpwrs);
txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 0.0);
obspower(tpwrd);
if (tpwrsf < 4095.0) obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
decshaped_pulse("offC6", pwC6, t3, 1.0e-6, 0.0);
decphase(zero);
if((tau1 - 2.0*pwC6/3.14 - WFG3_START_DELAY - 0.5*pwZ - POWER_DELAY) > SAPS_DELAY)
{
decpwrf(rf3);
delay(tau1 - 2.0*pwC6/3.14 - WFG3_START_DELAY - 0.5*pwZ - POWER_DELAY);
sim3shaped_pulse("", "offC3", "", 0.0, pwC3a, 2.0*pwN, zero, zero, zero,0.0,0.0);
initval(phshift3, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
decpwrf(rf6);
decphase(t5);
delay(tau1 - 2.0*pwC6/3.14 - SAPS_DELAY - 0.5*pwZ- WFG3_START_DELAY - POWER_DELAY);
}
else
{
decpwrf(rf8);
decshaped_pulse("offC8", pwC8, zero, 2.0e-6, 0.0);
decpwrf(rf6);
decphase(t5);
delay(2.0e-6);
}
decshaped_pulse("offC6", pwC6, t5, 0.5e-6, 1.0e-6);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
/* xxxxxxxxxxxxxxxxxx N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
dcplrphase(zero);
obspower(tpwr);
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decpwrf(rf3);
decphase(zero);
delay((timeTN - tau2 - pwC3a)/2.0);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
dec2phase(t9);
decpwrf(rf8);
delay((timeTN - tau2 - pwC3a)/2.0);
/* WFG3_START_DELAY */
/*
sim3shaped_pulse("", "offC8", "", 2.0*pw, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
*/
sim3shaped_pulse("", "offC8", "",0.0,pwC8,2.0*pwN,zero,zero,t9,0.0,0.0);
dec2phase(t10);
decpwrf(rf3);
delay((timeTN + tau2 - pwC3a)/2.0);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay((timeTN + tau2 - pwC3a)/2.0 - 2.75e-3 - 2.0*pw);
rgpulse(2.0*pw,zero, 0.0, 0.0);
if (mag_flg[A]=='y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(4.0*GRADIENT_DELAY);
}
txphase(t4);
delay(2.75e-3 - gt1 - 6.0*GRADIENT_DELAY);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.65*pwN - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
rcvron();
statusdelay(C,1.0e-4);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCshape[MAXSTR],
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeNCA = getval("timeNCA"),
timeC = getval("timeC"), /* other delays */
tauCC = getval("tauCC"),
zeta = getval("zeta"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
rf0,
rfst,
widthHd,
pwS1, /* length of square 90 on Cab */
pwS2, /* length of square 180 on Ca */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
phshift = getval("phshift"), /* phase shift induced on CO by 180 on CA in middle of t1 */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
waltzB1 = getval("waltzB1"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("TROSY",TROSY);
widthHd=2.069*(waltzB1/sfrq); /* produces same field as std. sequence */
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t4,1,phx);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,16,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,8,rec);}
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
lambda = 2.4e-3;
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
if( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1); }
/* 30 ppm sech/tanh inversion for Ca-Carbons */
rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41));
rfst = (int) (rfst + 0.5);
strcpy(stCshape, "stC30");
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( gt4 > zeta - 0.6*pwC)
{ printf(" gt4 is too big. Make gt4 equal to %f or less.\n",
(zeta - 0.6*pwC)); psg_abort(1);}
if ( 0.5*ni*1/(sw1) > 2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((2.0*timeC - OFFSET_DELAY)*2.0*sw1))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t2,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t2,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("ca");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(three);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decpwrf(rfst);
delay(tauCH - gt0 - WFG2_START_DELAY - 0.5e-3 + 70.0e-6);
simshaped_pulse("",stCshape, 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tauCH - gt0 - 0.5e-3 + 70.0e-6 - 150.0e-6);
decpwrf(rf0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(150.0e-6);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, t1, 0.0, 0.0);
set_c13offset("co");
delay(zeta - 0.6*pwC - OFFSET_DELAY - POWER_DELAY - PWRF_DELAY - PRG_START_DELAY);
h1decon("DIPSI2", widthHd, 0.0); /*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
delay(2.0*timeC - zeta);
c13pulse("co", "ca", "sinc", 90.0, t2, 0.0, 0.0); /* pwS1 */
delay(timeNCA - tau1);
c13pulse("ca", "co", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); /* pwS2 */
delay(timeNCA + tau1 + (60.0e-6));
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0); /* pwS1 */
delay(2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY - tau1);
c13pulse("ca", "co", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauCC);
sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 60.0e-6);
delay(tau1);
set_c13offset("ca");
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
nh_evol_se_train("ca", "co"); /* common part of sequence in bionmr.h */
if (dm3[B] == 'y') lk_sample();
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
SCT[MAXSTR], /* Semi-constant time flag for N-15 evolution */
CT_c[MAXSTR], /* Constant time flag for C-13 evolution */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauC = getval("tauC"), /* delay for CO to Ca evolution */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeTC = getval("timeTC"), /* constant time for 13C evolution */
t2a=0.0, t2b=0.0, halfT2=0.0, CTdelay=0.0,
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Ca (56ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 4.7 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (56ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 10.5 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC6" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
pwC9 = getval("pwC9"), /* 180 degree selective sinc pulse on CO(174ppm) */
phshift9, /* phase shift induced on Ca by pwC9 ("offC9") pulse */
pwZ, /* the largest of pwC9 and 2.0*pwN */
pwZ1, /* the larger of pwC8 and 2.0*pwN for 1D experiments */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
rf9, /* fine power for the pwC9 ("offC9") pulse */
dofCO, /* channel 2 offset for most CO pulses */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
csa, sna,
pra = M_PI*getval("pra")/180.0,
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt9 = getval("gt9"),
gt10 = getval("gt10"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7"),
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9"),
gzlvl10 = getval("gzlvl10");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("SCT",SCT);
getstr("CT_c",CT_c);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* offset during CO pulses, except for t1 evolution period */
dofCO = dof + 118.0*dfrq;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Ca, null at CO 118ppm away */
pwC1 = sqrt(15.0)/(4.0*118.0*dfrq);
rf1 = 4095.0*(compC*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
pwC2 = sqrt(3.0)/(2.0*118.0*dfrq);
rf2 = (compC*4095.0*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4095.0 )
{ printf("increase pwClvl so that C13 90 < 24us*(600/sfrq)"); psg_abort(1);}
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf9 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf9 = (int) (rf9 + 0.5); /* power than a square pulse */
/* the pwC9 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC8 > 2.0*pwN) pwZ = pwC8; else pwZ = 2.0*pwN;
if ((pwC9==0.0) && (pwC8>2.0*pwN)) pwZ1=pwC8-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC9 = pwC8;
if ( pwC9 > 0 ) phshift9 = 140.0;
else phshift9 = 0.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ; /* 7.5 kHz rf */
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* set up Projection-Reconstruction experiment */
tau1 = d2; tau2 = d3;
PRexp=0; csa = 1.0; sna = 0.0;
if((pra > 0.0) && (pra < 90.0)) /* PR experiments */
{
PRexp = 1;
csa = cos(pra);
sna = sin(pra);
tau1 = d2*csa;
tau2 = d2*sna;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if(SCT[A] == 'n')
{
if (PRexp)
{
if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);}
}
else
{
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
}
}
if(CT_c[A] == 'y')
{
if ( 0.5*ni*csa/sw1 > timeTC)
{ printf(" ni is too big. Make ni less than %d or less.\n",
((int)(timeTC*2.0*sw1/csa - 4e-6 - SAPS_DELAY))); psg_abort(1);}
}
if ( tauC < (gt7+1.0e-4+0.5*10.933*pwC)) gt7=(tauC-1.0e-4-0.5*10.933*pwC);
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
halfT2 = 0.0;
CTdelay = timeTN + pwC8 + WFG_START_DELAY - SAPS_DELAY;
if(ni>1)
{
if(f1180[A] == 'y') /* Set up f1180 */
tau1 += 0.5*csa/sw1; /* if not PRexp then csa = 1.0 */
if(PRexp)
{
halfT2 = 0.5*(ni-1)/sw1; /* ni2 is not defined */
if(f1180[A] == 'y')
{ tau2 += 0.5*sna/sw1; halfT2 += 0.25*sna/sw1; }
t2b = (double) t1_counter*((halfT2 - CTdelay)/((double)(ni-1)));
}
}
if (ni2>1)
{
halfT2 = 0.5*(ni2-1)/sw2;
if(f2180[A] == 'y') /* Set up f2180 */
{ tau2 += 0.5/sw2; halfT2 += 0.25/sw2; }
t2b = (double) t2_counter*((halfT2 - CTdelay)/((double)(ni2-1)));
}
tau1 = tau1/2.0;
tau2 = tau2/2.0;
if(tau1 < 0.2e-6) tau1 = 0.0;
if(tau2 < 0.2e-6) tau2 = 0.0;
if(t2b < 0.0) t2b = 0.0;
t2a = CTdelay - tau2 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
/* uncomment these lines to check t2a and t2b
printf("%d: t2a = %.12f", t2_counter,t2a);
printf(" ; t2b = %.12f\n", t2b);
*/
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
decoffset(dofCO);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
if (TROSY[A]=='y')
{txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
obspower(tpwrd); /* POWER_DELAY */
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN -0.5*kappa - POWER_DELAY - WFG3_START_DELAY);
}
else
{txphase(zero);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc",pwHs,zero,5.0e-4,0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
}
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(zero);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);}
zgradpulse(-gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf6);
decphase(one);
txphase(one);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
decoffset(dof);
zgradpulse(-gzlvl9, gt9);
decpwrf(rf1);
decphase(t3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decrgpulse(pwC1, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
if (ni==1.0) /* special 1D check of pwC9 phase enabled when ni=1 */
{
decpwrf(rf9);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC9", "", 0.0, pwC9, 2.0*pwN, zero, zero, zero,
2.0e-6, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else if(CT_c[A] == 'y') /* xxxxxxx 13Ca Constant Time EVOLUTION xxxxxxxx */
{
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG_START_DELAY -POWER_DELAY > 0.0) {
delay(tau1 -2.0*pwC1/PI -POWER_DELAY -WFG_START_DELAY);
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
}
else
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeTC- 2.0e-6 -WFG_STOP_DELAY-POWER_DELAY);
decpwrf(rf2);
decrgpulse(pwC2, zero, 2.0e-6, 2.0e-6); /* 13Ca 180 degree pulse */
delay(timeTC-tau1- 4.0e-6 -SAPS_DELAY);
phshift9 = 230.0; /* = 320-90 - correction for -90 degree phase shift in F1 */
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
}
else /* xxxxxxx 13Ca Conventional EVOLUTION xxxxxxxxx */
{
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 2.0*pwC1/PI compensates for evolution at 64% rate during pwC1 */
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ);
sim3shaped_pulse("", "offC9", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(tau1 - 2.0*pwC1/PI - SAPS_DELAY - 0.5*pwZ - 2.0e-6);
}
else
{
initval(180.0, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(2.0*tau1 - 4.0*pwC1/PI - SAPS_DELAY - 2.0e-6);
}
}
else /* 13Ca evolution refocused for 1st increment */
{
decpwrf(rf2);
delay(10.0e-6);
decrgpulse(pwC2, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
decphase(t5);
decpwrf(rf1);
decrgpulse(pwC1, t5, 2.0e-6, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
decoffset(dofCO);
decpwrf(rf6);
decphase(one);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl10, gt10);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf6);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl4, gt4);
txphase(one);
decphase(zero);
decpwrf(rf8);
dcplrphase(zero);
dec2phase(t8);
delay(2.0e-4);
if (TROSY[A]=='n')
{rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();}
dec2rgpulse(pwN, t8, 0.0, 0.0); /* N15 EVOLUTION BEGINS HERE */
dec2phase(t9);
if(SCT[A] == 'y')
{
delay(t2a);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
delay(t2b);
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0); /* WFG_START_DELAY */
}
else
{
delay(timeTN - WFG3_START_DELAY - tau2); /* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
}
dec2phase(t10);
decpwrf(rf3);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(kappa -pwC3 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR], /* do TROSY on N15 and H1 */
h1dec[MAXSTR], /* Flag to waltz-decouple of H1 for t1*/
CT_c[MAXSTR]; /* Flag to constant time evolution for C13*/
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
timeTC = getval("timeTC"), /* constant time for 13C evolution */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
taud = 1.7e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Ca (56ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 4.7 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (56ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 10.5 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "BPcal". SLP pulse shapes, "offC9" etc are called */
/* directly from your shapelib. */
pwC9 = getval("pwC9"), /*180 degree pulse at CO(174ppm) null at Ca(56ppm) */
pwC9a = getval("pwC9a"), /* pwC9a=pwC9, but not set to zero when pwC9=0 */
phshift9, /* phase shift induced on Ca by pwC9 ("offC9") pulse */
pwZ, /* the largest of pwC9 and 2.0*pwN */
pwZ1, /* the larger of pwC9a and 2.0*pwN for 1D experiments */
rf9, /* fine power for the pwC9 ("offC9") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
getstr("h1dec",h1dec);
getstr("CT_c",CT_c);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Ca, null at CO 118ppm away */
pwC1 = sqrt(15.0)/(4.0*118.0*dfrq);
rf1 = (compC*4095.0*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
pwC2 = sqrt(3.0)/(2.0*118.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4095.0 )
{printf("increase pwClvl so that C13 90 < 24us*(600/sfrq)"); psg_abort(1);}
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf9 = (compC*4095.0*pwC*2.0*1.65)/pwC9a; /* needs 1.65 times more */
rf9 = (int) (rf9 + 0.5); /* power than a square pulse */
/* the pwC9 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC9a > 2.0*pwN) pwZ = pwC9a; else pwZ = 2.0*pwN;
if ((pwC9==0.0) && (pwC9a>2.0*pwN)) pwZ1=pwC9a-2.0*pwN; else pwZ1=0.0;
if (ni > 1) pwC9 = pwC9a;
if ( pwC9 > 0 ) phshift9 = 320.0;
else phshift9 = 0.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni*1/(sw1) > timeTC)
{ printf(" ni is too big. Make ni less than %d . Check by using dps and make sure no ? appears for d2=t1max (ni/sw1).\n",
((int)((timeTC)*2.0*sw1-7))); psg_abort(1); }
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (TROSY[A]=='y')
{
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,5.0e-4,0.0);
obspower(tpwr);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
dec2phase(zero);
decpwrf(rf2);
delay(timeTN - 0.5*kappa);
}
else
{
txphase(zero);
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,5.0e-4,0.0);
obspower(tpwrd);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf2);
delay(timeTN - kappa);
}
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decphase(t3);
decpwrf(rf1);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{
xmtroff();
obsprgoff();
if (h1dec[0]=='y')
rgpulse(pwHd,three,2.0e-6,0.0);
else
rgpulse(pwHd,one,2.0e-6,0.0);
}
zgradpulse(gzlvl3, gt3);
txphase(one);
delay(2.0e-4);
if(h1dec[0]=='y')
{
obspower(tpwrd);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
}
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
decrgpulse(pwC1,t3,0.0,0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
if (CT_c[0]=='n') {
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 2.0*pwC1/PI compensates for evolution at 64% rate duting pwC1 */
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC9", "", 0.0, pwC9a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(tau1 - 2.0*pwC1/PI - SAPS_DELAY - 0.5*pwZ - 2.0e-6);
}
else
{
initval(180.0, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(2.0*tau1 - 4.0*pwC1/PI - SAPS_DELAY - 2.0e-6);
}
}
else if (ni==1.0) /* special 1D check of pwC9 phase enabled when ni=1 */
{
decpwrf(rf9);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC9", "", 0.0, pwC9, 2.0*pwN, zero, zero, zero,
2.0e-6, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else /* 13Ca evolution refocused for 1st increment */
{
decpwrf(rf2);
decrgpulse(pwC2, zero, 2.0e-6, 0.0);
}
}
else { /* %%%%%%%%%%STARTING 13Ca Constant Time EVOLUTION %%%%%%%%%%%%%%%%%%*/
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG_START_DELAY -POWER_DELAY> 0.0) {
delay(tau1 -2.0*pwC1/PI -POWER_DELAY -WFG_START_DELAY);
sim3shaped_pulse("","offC9","",0.0,pwC9a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
}
else {
sim3shaped_pulse("","offC9","",0.0,pwC9a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
}
if (h1dec[0]=='n'){
delay(taud-POWER_DELAY);
obspower(tpwr);
rgpulse(2.0*pw,zero,0.0,0.0);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(timeTC -pwZ -2.0*WFG_STOP_DELAY -taud -2.0*pw -1/dmf3 -2.0e-6 -202.0e-6 -gt7);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
}
else{ /* Should be forbidden?? */
delay(timeTC -pwZ -WFG_STOP_DELAY -taud -2.0*pw -202.0e-6 -gt7);
}
}
else { /* hdec=y */
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(timeTC -pwZ -2.0*WFG_STOP_DELAY -PRG_STOP_DELAY -pwHd -1/dmf3
-4.0e-6-202.0e-6-gt7);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,2.0e-6);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
}
else{
delay(timeTC -pwZ -WFG_STOP_DELAY -PRG_STOP_DELAY -4.0e-6 -202.0e-6
-gt7);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,2.0e-6);
}
}
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6-POWER_DELAY);
decpwrf(rf2);
decrgpulse(pwC2, zero, 0.0, 0.0); /* 13Ca 180 degree pulse */
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
if (h1dec[0]=='n') {
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
delay(timeTC-tau1-202.0e-6-gt7-2.0*WFG_START_DELAY-1/dmf3-
2.0*POWER_DELAY-pwC9a-2.0e-6-WFG_STOP_DELAY-SAPS_DELAY);
}
else{ /* Should be forbidden??? */
delay(timeTC -tau1 - 202.0e-6 - gt7-2.0*POWER_DELAY-pwC9a-
WFG_START_DELAY-WFG_STOP_DELAY-2.0e-6-SAPS_DELAY);
}
}
else {
if (dm3[B]=='y') {
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
delay(timeTC-tau1-202.0e-6-gt7-2.0*WFG_START_DELAY-4.0e-6-1/dmf3-pwHd-
PRG_START_DELAY-2.0*POWER_DELAY-pwC9a-2.0e-6-SAPS_DELAY);
}
else {
delay(2.0e-6);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
delay(timeTC-tau1-202.0e-6-gt7-4.0e-6-pwHd-PRG_START_DELAY-
2.0*POWER_DELAY-pwC9a-WFG_START_DELAY-WFG_STOP_DELAY-SAPS_DELAY);
}
}
decpwrf(rf9);
decshaped_pulse("offC9",pwC9a,zero,0.0,0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
} /* %%%%%%%%%%%%%%%%%%ENDING 13Ca Constant Time EVOLUTION %%%%%%%%%%%%%%%%%%*/
decphase(t5);
decpwrf(rf1);
decrgpulse(pwC1, t5, 2.0e-6, 0.0);
dec2phase(t8);
dcplrphase(zero);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
if (h1dec[0]=='y')
{
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(one);
}
delay(2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(2.0e-4);
if (TROSY[A]=='n') {
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
}
/* %%%%%%%%%%%%%%%%%%STARTING N15 Constant Time Evolution %%%%%%%%%%%%%%%%%%*/
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf2);
delay(timeTN - tau2);
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf9);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC9a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC9a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC9a - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC9a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC9a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(kappa -pwC9a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC9a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC9a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC9", pwC9a, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char pw11[MAXSTR], /* off resonance 1-1 type proton excitation pulse */
URA[MAXSTR], /* Setup for U-imino - U-H6 */
CYT[MAXSTR], /* Setup for C-imino - C-H6 */
CP[MAXSTR], /* CP H->N transfer */
INEPT[MAXSTR], /* INEPT H->N transfer */
C13refoc[MAXSTR], /* C13 pulse in middle of t1*/
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int t1_counter;
double tau1, /* t1 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
lambdaN = 0.94/(4.0*getval("JNH")), /* 1/4J N-H INEPT delay */
tCC = 1.0/(4.0*getval("JCC")), /* 1/4J C-C INEPT delay */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
rfN, /* maximum fine power when using pwN pulses */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
rfH, /* maximum fine power when using pw pulses */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_12, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_169, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_140, /* dof shifted to 140 ppm for C4-C5-C6 transfer and DEC1 */
dof2_97, /* dof2 shifted to 97 ppm for H4-N4 and N4-C4 transfer */
dof2_160, /* dof2 shifted to 160 ppm for H3-N3 and N3-C4 transfer */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC-rfdN-rfdH */
rfdC, /* fine C13 power for 1.9 kHz rf for 500MHz magnet */
rfdN, /* fine N15 power for 1.9 kHz rf for 500MHz magnet */
rfdH, /* fine H1 power for 1.9 kHz rf for 500MHz magnet */
ncyc_hn = getval("ncyc_hn"), /* number of pulsed cycles in HN half-DIPSI-3 */
ncyc_nc = getval("ncyc_nc"), /* number of pulsed cycles in NC DIPSI-3 */
sw1 = getval("sw1"),
grecov = getval("grecov"),
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("pw11",pw11);
getstr("URA",URA);
getstr("CYT",CYT);
getstr("CP",CP);
getstr("INEPT",INEPT);
getstr("C13refoc",C13refoc);
getstr("f1180",f1180);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,4,phi4);
settable(t5,16,phi5);
if ( CP[A] == 'y' )
settable(t10,8,rec1);
if ( INEPT[A] == 'y' )
settable(t10,16,rec2);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* maximum fine power for pwN pulses */
rfN = 4095.0;
/* maximum fine power for pw pulses */
rfH = 4095.0;
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_12 = tof + 7.0*sfrq; /* tof shifted to nH */
dof_169 = dof + 59*dfrq; /* dof shifted to C4 */
dof_140 = dof + 30*dfrq; /* dof shifted to C6 */
dof2_160 = dof2 - 40*dfrq2; /* dof2 shifted to Nh */
dof2_97 = dof2 - 103*dfrq2; /* dof2 shifted to Nh2 */
/* 1.9 kHz DIPSI-3 at 500MHz*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0)); /* 1.9 kHz DIPSI-3 at 500MHz*/
/* fine C13 power for dipsi-3 isotropic mixing on C4 region */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
/* fine N15 power for dipsi-3 isotropic mixing on Nh region */
rfdN = (compN*4095.0*pwN*5.0)/(p_d*9.0);
rfdN = (int) (rfdN + 0.5);
/* fine H1 power for half dipsi-3 isotropic mixing on nH2 region */
rfdH = (compH*4095.0*pw*5.0)/(p_d*9.0);
rfdH = (int) (rfdH + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
/* number of cycles and mixing time */
ncyc_nc = (int) (ncyc_nc + 0.5);
ncyc_hn = (int) (ncyc_hn + 0.5);
if (ncyc_nc > 0 )
{
printf("NC-mixing time is %f ms.\n",(ncyc_nc*51.8*4*p_d));
}
if (CP[A] == 'y')
{
if (ncyc_hn > 0 )
printf("HN-mixing time is %f ms.\n",(ncyc_hn*51.8*2*p_d));
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t10,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* CHECK VALIDITY OF PARAMETER RANGE */
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
if( (CP[A] == 'y') && (INEPT[A] == 'y') )
{
text_error("Choose either CP or INEPT for H->N transfer !! ");
psg_abort(1);
}
if( ncyc_hn > 2 )
{
text_error("check H->N half-dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_nc > 7 )
{
text_error("check N->C dipsi-3 time !! ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CYT[A] == 'y') )
{
text_error("Choose either URA or CYT !! ");
psg_abort(1);
}
if( (URA[A] == 'n') && (CYT[A] == 'n') )
{
text_error("Do you really want to run this experiment ?? ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CP[A] == 'y') )
{
printf("Remember that CP covers just 3.8 ppm !!! ");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
rcvroff();
obspower(tpwr);
obspwrf(rfH);
obsstepsize(0.5);
decpower(pwClvl);
decpwrf(rfC);
decstepsize(0.5);
dec2power(pwNlvl);
dec2pwrf(rfN);
dec2stepsize(0.5);
if (URA[A] == 'y')
{
obsoffset(tof_12); /* Set the proton frequency to U-nH */
dec2offset(dof2_160); /* Set the nitrogen frequency to U-Nh */
}
else if (CYT[A] == 'y')
{
obsoffset(tof_75); /* Set the proton frequency to C-nH2 */
dec2offset(dof2_97); /* Set the nitrogen frequency to C-Nh2 */
}
else
{
}
decoffset(dof_169); /* Preset the carbon frequency for the NC-tocsy */
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if (CP[A] == 'y')
initval(ncyc_hn,v12);
initval(ncyc_nc,v11);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(5.0e-4);
rcvroff();
if(pw11[A] == 'y')
{
rgpulse(pw/2, t1, 50.0e-6, 0.0);
if (URA[A] == 'y')
delay(1/(2*(tof_12-tof)));
else if (CYT[A] == 'y')
delay(1/(2*(tof_75-tof)));
else
delay(1/(2*(tof_75-tof)));
rgpulse(pw/2, t1, 0.0, 0.0);
}
else
{
rgpulse(pw, t1, 50.0e-6, 0.0);
}
txphase(zero);
if (C13refoc[A]=='y')
{
if (tau1 > (0.001-(2.0*GRADIENT_DELAY + pwN + 0.64*pw )))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) );
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else
{
if (tau1 > (0.001-(pwN + 0.64*pw )))
{
delay(tau1 - pwN - 0.64*pw );
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else
{
if (tau1 > (0.64*pw ))
delay(2.0*tau1 - 2.0*0.64*pw );
}
}
}
else
{
if (tau1 > (0.001-(2.0*GRADIENT_DELAY + pwN + 0.64*pw )))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else
{
if (tau1 > (0.001-(pwN + 0.64*pw )))
{
delay(tau1 - pwN - 0.64*pw );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else
{
if (tau1 > (0.64*pw ))
delay(2.0*tau1 - 2.0*0.64*pw );
}
}
}
if (INEPT[A] == 'y')
{
delay(lambdaN);
sim3pulse(2*pw, 0.0, 2*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t5);
delay(lambdaN - SAPS_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - SAPS_DELAY - gt5);
sim3pulse(2*pw, 0.0, 2*pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - 2*SAPS_DELAY - gt5 - 2*POWER_DELAY);
decpwrf(rfdC); /* Set fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
}
else if (CP[A] == 'y')
{
obspwrf(rfdH); /* Set fine power for proton */
decpwrf(rfdC); /* Preset fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
delay(2.0e-6);
starthardloop(v12);
sim3pulse(6.4*p_d,0.0,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(8.2*p_d,0.0,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(5.8*p_d,0.0,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.7*p_d,0.0,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.6*p_d,0.0,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(4.9*p_d,0.0,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(7.5*p_d,0.0,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.3*p_d,0.0,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(7.4*p_d,0.0,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(6.4*p_d,0.0,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(8.2*p_d,0.0,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.8*p_d,0.0,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(5.7*p_d,0.0,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.6*p_d,0.0,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(4.9*p_d,0.0,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(7.5*p_d,0.0,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(5.3*p_d,0.0,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(7.4*p_d,0.0,7.4*p_d,two,two,two,0.0,0.0);
endhardloop();
}
else
{
}
dec2phase(zero);
decphase(zero);
starthardloop(v11);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
endhardloop();
obspwrf(rfH);
decpwrf(rfC);
dec2pwrf(rfN);
obsoffset(tof);
decoffset(dof_140);
txphase(zero);
decphase(one);
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magn. to z */
decphase(t3);
decrgpulse(pwC,t3,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(tCC - SAPS_DELAY - gt5);
decrgpulse(2*pwC,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCC - gt5);
decrgpulse(pwC,zero,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(tCC - SAPS_DELAY - gt5);
decrgpulse(2*pwC,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCC - gt5);
decrgpulse(pwC,zero,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
delay(tCC - SAPS_DELAY);
decrgpulse(2*pwC,zero,0.0,0.0);
delay(tCC - lambda - pw);
rgpulse(2*pw,zero,0.0,0.0); /* Invert water signal */
delay(lambda - pw);
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(grecov);
txphase(zero);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
zgradpulse(gzlvl4,gt4);
delay(grecov - 2*SAPS_DELAY - 2*POWER_DELAY - GRADIENT_DELAY);
rgpulse((lambda-grecov-gt4-pwC), two, 0.0, 0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
simpulse(2*pwC,2*pwC,two,zero,0.0,0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
rgpulse((pwHs2-2*pwC-(lambda-grecov-gt4-pwC)), two, 0.0, 0.0);
txphase(zero);
obspower(tpwr);
rgpulse(2*pw, zero, 0.0, 0.0);
txphase(two);
obspower(tpwrs2);
rgpulse(pwHs2, two, 0.0, 0.0);
decphase(t4);
zgradpulse(gzlvl4,gt4);
delay(grecov-2*pwC-2*SAPS_DELAY - POWER_DELAY - GRADIENT_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
rcvron();
setreceiver(t10);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
shib[MAXSTR], /* iburp for inversion during first inept */
Hshp[MAXSTR], /* proton inversion during chirp */
ddseq[MAXSTR],
shreb[MAXSTR], /* reburb hard during t2 */
co_shp[MAXSTR], /* shape of co 180 at 176 ppm */
CT_flg[MAXSTR],
codecseq[MAXSTR],
c180_flg[MAXSTR],
n_shift[MAXSTR],
shibca[MAXSTR],
shibcai[MAXSTR];
int phase, phase2, t2_counter, ni2, ni,
t1_counter; /* used for states tppi in t2,t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms; first inept */
mix, /* noesy mixing time */
TC, /* Variable CT period during t1 1/2JCC */
TC2, /* Variable CT period during t3 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pwC,pwClvl,compC,pwN,pwNlvl,ppm,ofs,bw, /*used by Pbox */
d_ib,
pwib,
pwhshp,
pwd1, /* 2H flip back pulses */
d_reb,
pwreb,
ph_reb,
ph_reb1, /* only used if CT_flg=='y' and n_shift=='y' */
pwco180,
dhpwr2,
pwn,
d_co180,
pwcodec, /* carbon pw90 for seduce decoupling */
dpwrsed,
dressed,
d_ibca, /* power level for selective 13Ca pulse during CT-t2 */
pwibca, /* selective 13Ca pulse width */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("n_shift",n_shift);
getstr("Hshp",Hshp);
getstr("CT_flg",CT_flg);
getstr("c180_flg",c180_flg);
compC = getval("compC"); pwN=getval("pwN"); pwNlvl=getval("pwNlvl");
pwC = getval("pwC"); pwClvl=getval("pwClvl");
pwhshp = getval("pwhshp");
taua = getval("taua");
mix = getval("mix");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
ni = getval("ni");
pwd1 = getval("pwd1");
ph_reb = getval("ph_reb");
ph_reb1 = getval("ph_reb1");
TC2 = getval("TC2");
dhpwr2 = getval("dhpwr2");
pwn = getval("pwn");
setautocal();
if(autocal[0]=='n')
{
getstr("shreb",shreb);
getstr("shib",shib);
getstr("shibca",shibca);
getstr("shibcai",shibcai);
getstr("co_shp",co_shp);
getstr("codecseq",codecseq);
d_reb = getval("d_reb");
pwreb = getval("pwreb");
d_ib = getval("d_ib");
pwib = getval("pwib");
d_ibca = getval("d_ibca");
pwibca = getval("pwibca");
d_co180 = getval("d_co180");
pwco180 = getval("pwco180");
pwcodec = getval("pwcodec");
dpwrsed = getval("dpwrsed");
dressed = getval("dressed");
}
else
{
/*strcpy(Hshp,"hard"); former declarations using TNMR.h syntax
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");*/
strcpy(Hshp,"hard");
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");
if (FIRST_FID)
{
ppm = getval("dfrq");
/* These are former declarations (at top) using TNMR.h syntax */
/*REB180 "reburp 110p 5p"*/ /* RE-BURP 180 on Cab at 24.6 ppm, 5 ppm away */
/*IB180 "iburp2 24.4p 1.5p"*/ /* I-BURP 180 on Me at 21.1 ppm, 1.5 ppm away */
/*IBCA "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*IBCAI "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*CO180 "seduce 30p 156p"*/ /* SEDUCE 180 on C' at 175.6 ppm 156 ppm away */
/*CODEC "WURST2 20p/4m 156p"*/ /* WURST2 decoupling on C' at 175.6 ppm 156 ppm away */
/*REB180ps "-stepsize 0.5 -attn i"*/ /* seduce 180 shape parameters */
/*CODECps "-dres 1.0 -maxincr 20.0 -attn i"*/
/*co180 = pbox(co_shp, CO180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibcai = pbox(shibcai, IBCAI, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibca = pbox(shibca, IBCA, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ib180 = pbox(shib, IB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*reb = pbox(shreb, REB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*COdec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwc, dhpwr);*/
bw = 110.0*ppm; ofs = 5.0*ppm;
Preb_5p = pbox_Rsh("Preb_5p", "reburp", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 1.5*ppm;
Pib_1p5 = pbox_Rsh("Pib_1p5", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35p = pbox_Rsh("Pib_35p", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35pi = pbox_Rsh("Pib_35pi", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 30.0*ppm; ofs = 156*ppm;
Psed_156p = pbox_Rsh("Psed_156p", "seduce", bw , ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 156*ppm;
Pdec_156p = pbox_Dsh("Pdec_156p", "WURST2", bw , ofs, compC*pwC, pwClvl);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
d_reb = Preb_5p.pwr; pwreb = Preb_5p.pw;
d_ib = Pib_1p5.pwr; pwib = Pib_1p5.pw;
d_ibca = Pib_35p.pwr; pwibca = Pib_35p.pw;
d_co180 = Psed_156p.pwr; pwco180 = Psed_156p.pw;
dpwrsed = Pdec_156p.pwr; pwcodec = 1.0/Pdec_156p.dmf; dressed = Pdec_156p.dres;
pwc=pwC; dhpwr=pwClvl; pwn=pwN; dhpwr2=pwNlvl; pwhshp=2.0*pw;
pwd1=1/dmf3; pwhshp=2.0*pw;
}
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,8,phi2);
settable(t7,2,phi7);
settable(t8,2,phi8);
settable(t9,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(TC/2.0 - 0.5*(ni-1)*1/(sw1) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni is too big\n");
psg_abort(1);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
if(TC2/2.0 - 0.5*(ni2-1)*1/(sw2) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
if(TC2/2.0 - 0.5*(ni2-1)/sw2 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( d_ib > 54 )
{
printf("don't fry the probe, d_ib too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 51 )
{
printf("don't fry the probe, DPWR3 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwd1 < 100.0e-6 && pwd1 != 0.0)
{
printf("dont fry the probe, pwd1 too short and dpwr3 too high! ");
psg_abort(1);
}
if(d_co180 > 50)
{
printf("dont fry the probe, d_co180 is too high\n ");
psg_abort(1);
}
if(((pwco180 > 250e-6) || (pwco180 < 200e-6)) && (autocal[A] == 'n'))
{
printf("pwco180 is misset < 250 us > 200 us\n");
psg_abort(1);
}
if(dpwrsed > 45)
{
printf("dpwrsed is misset < 46\n");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 ||
gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3 ||
gt10 > 15e-3 || gt11 > 15e-3 || gt12 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase2 == 2) {
tsadd(t2,1,4);
}
if (phase == 2)
tsadd(t1,1,4);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(CT_flg[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(tau2 < 0.4e-6) tau2 = 0.4e-6;
tau2 = tau2/2.0;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
}
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t2,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dhpwr2); /* Set Dec2 power for hard 15N pulses */
dec3power(dpwr3); /* Set Dec3 power for 2H pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
decpower(d_ib); /* set power for chirp during inept */
delay(4e-6);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
txphase(one); decphase(t1);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwc,t1,0.0,0.0);
decphase(zero);
delay(tau1);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC/2.0 - tau1 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
initval(1.0,v3);
decstepsize(ph_reb);
dcplrphase(v3);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(TC/2.0 - tau1 - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(d_ib);
delay(taua - gt6 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(dhpwr);
txphase(one);
delay(taua - gt6 - gstab -2.0e-6 - POWER_DELAY - WFG2_STOP_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(mix - gt7 - 352.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
decpower(d_ib); /* set power level for iburp */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n') {
delay(taua - gt8 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt8 - 4.0e-6 - WFG3_START_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,zero,zero,zero,0.0,0.0);
}
txphase(one); decphase(t2);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt8 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
else
delay(taua - gt8 - 4.0e-6 - WFG3_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(gstab);
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
decrgpulse(pwc,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb);
dcplrphase(v4);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG_STOP_DELAY - POWER_DELAY
- gt10 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
dec2phase(t2); delay(2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decphase(zero);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,0.0e-6,zero,zero,zero,4.0e-6,2.0e-6);
decpower(d_ibca);
decshaped_pulse(shibca,pwibca,zero,4.0e-6,0.0);
decphase(zero);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb1);
dcplrphase(v4);
decpower(d_reb);
sim3shaped_pulse("hard",shreb,"hard",0.0e-6,pwreb,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(t7); decpower(d_ibca);
decshaped_pulse(shibcai,pwibca,t7,4.0e-6,0.0);
decpower(dhpwr); decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG3_STOP_DELAY - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwibca - WFG_STOP_DELAY
- POWER_DELAY
- gt10 - gstab -2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
txphase(one);
decrgpulse(pwc,t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
dec2rgpulse(2.0*pwn,zero,0.0,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff();
decpower(dhpwr);
/* seduce off */
}
else
decrgpulse(2.0*pwc,zero,4.0e-6,0.0);
decrgpulse(pwc,zero,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
txphase(one); dec2phase(t2);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),t2,2.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff(); /* note that ca-n evolves ; keep t2,max <= 9.5ms */
decpower(dhpwr);
/* seduce off */
}
else
sim3pulse(0.0,2.0*pwc,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),zero,4.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
lk_sample();
rgpulse(pw,t8,4.0e-6,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
decpower(d_ib);
if(n_shift[A] == 'n') {
delay(taua - gt12 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,t8,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt12 - 4.0e-6 - WFG3_START_DELAY - POWER_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,t8,zero,zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt12 - 4.0e-6 - WFG2_STOP_DELAY - 2.0*POWER_DELAY);
else
delay(taua - gt12 - 4.0e-6 - WFG3_STOP_DELAY - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,t8,0.0,rof2);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t3 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
d2_init=0.0, /* used for states tppi in t1 */
bigTN, /* nitrogen T period */
bigTC, /* carbon T period */
BigT1, /* delay about 200 us */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
at,
sphase,
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
pwS1, /* length of 90 on Ca */
pwS2, /* length of 90 on CO */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 180 on CO */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0;
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fscuba",fscuba);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
bigTC = getval("bigTC");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
satpwr = getval("satpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
at = getval("at");
sphase = getval("sphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
kappa = 5.4e-3;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,4,phi2);
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t7,4,phi7);
settable(t6,4,rec);
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co","ca","sinc",180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'n'))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 47 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3
|| gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3 || gt10 > 15.0e-3
|| gt11>15.0e-3)
{
printf("gti values must be < 15e-3\n");
psg_abort(1);
}
if( dpwr3 > 56) {
printf("dpwr3 too high\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_CO:\t%6.2f\n", angle_CO);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t1,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t7,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t4,3,4); } /* CS */
else if (phase1 == 4) { tsadd(t7,1,4); tsadd(t4,3,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t3,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_CO/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS3 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS3)*2.0*swTilt/cos_N))); psg_abort(1);}
if (bigTC - 0.5*ni*(cos_Ca/swTilt) - pwS4
- pwS3/2 - WFG3_START_DELAY - WFG3_STOP_DELAY
-3*POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY -
4.0e-6 < 0.2e-6)
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTC - pwS4 - pwS3/2 - WFG3_START_DELAY -
WFG3_STOP_DELAY - 3*POWER_DELAY - PRG_START_DELAY -
PRG_STOP_DELAY -4.0e-6 )/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for hard 15N pulses */
dec2pwrf(4095.0);
set_c13offset("ca");
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(three);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
shiftedpulse("sinc", pwHs, 90.0, 0.0, three, 2.0e-6, 2.0e-6);
txphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one); dec2phase(zero); decphase(zero);
delay(taua - gt1 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(200.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CA TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,one,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(kappa - POWER_DELAY - PWRF_DELAY - pwHd - 4.0e-6 - PRG_START_DELAY);
/* delays for h1waltzon subtracted */
h1waltzon("WALTZ16", widthHd, 0.0);
decphase(zero);
dec2phase(zero);
delay(tauc - kappa - WFG3_START_DELAY );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
dec2phase(zero);
delay(tauc - pwS3);
dec2rgpulse(pwN,zero,0.0,0.0);
h1waltzoff("WALTZ16", widthHd, 0.0);
decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(200.0e-6);
/* xxxxxxxxxxxxxxxxxxxxx 13CA to 13CO TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(taud - 2*POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- 0.5*10.933*pwC);
decoff();
decprgoff();
decpower(pwClvl);
/* CHECK if this freq jump is needed */
set_c13offset("co"); /* change Dec1 carrier to Co */
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Co */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(taud - 2*POWER_DELAY
- PRG_STOP_DELAY - PRG_START_DELAY - 0.5*10.933*pwC);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
set_c13offset("co"); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4, gt4);
delay(100.0e-6);
/* xxxxxxxxxxxxxxxx 13CO CHEMICAL SHIFT EVOLUTION xxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t7, 0.0, 0.0);
if ((ni>1.0) && (tau1>0.0))
{
if (tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6 > 0.0)
{
delay(tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
delay(tau1-2.0*pwS2/PI-SAPS_DELAY-pwN-WFG3_STOP_DELAY-POWER_DELAY-2.0e-6);
}
else
{
delay(2.0*tau1);
delay(10.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay (10.0e-6);
}
}
else
{
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
}
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
set_c13offset("ca"); /* set carrier to Ca */
decphase(t4);
delay(2.0e-7);
zgradpulse(gzlvl9, gt9);
delay(100.0e-6);
/* xxxxxxxxxxxxxx 13CO to 13CA TRANSFER and 13CA EVOLUTION xxxxxxxxxxxxxxxx */
c13pulse("ca", "co", "square", 90.0, t4, 2.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTC - tau2 - 3*POWER_DELAY - 4.0e-6 - WFG3_START_DELAY
- pwS4 - WFG3_STOP_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- pwS3/2 - 4.0e-6);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("co", "ca", "sinc", 180.0, zero, 4.0e-6, 0.0);
decphase(t5);
c13pulse("ca", "co", "square", 180.0, t5, 4.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTC -3*POWER_DELAY - 6.0e-6 -pwS3/2 - 2*pwN
- WFG_START_DELAY- pwS4- WFG_STOP_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY - pwS1/2);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau2);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("co", "ca", "sinc", 180.0, zero, 4.0e-6, 0.0);
decphase(one);
c13pulse("ca", "co", "square", 90.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl11, gt11);
delay(100.0e-6);
/* Constant 15N period */
h1waltzon("WALTZ16", widthHd, 0.0);
dec2rgpulse(pwN,t1,2.0e-6,0.0);
dec2phase(t2);
delay(bigTN - tau3 + pwS3);
dec2rgpulse(2*pwN,t2,0.0,0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
dec2phase(t3);
txphase(zero);
if (tau3 > (kappa + PRG_STOP_DELAY + pwHd + 2.0e-6))
{
delay(bigTN - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6 - POWER_DELAY
- PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else if (tau3 > (kappa - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6))
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(kappa - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else if (tau3 > gt5 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - tau3 - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - tau3 - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3);
}
sim3pulse(pw,0.0,pwN,zero,zero,t3,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gt8 + 1.0e-4 + 50.2e-6 - 0.3*pw + 2.0*GRADIENT_DELAY
+ POWER_DELAY);
rgpulse(2*pw,zero,0.0,0.0);
dec2power(dpwr2);
decpower(dpwr);
zgradpulse(icosel*gzlvl8, gt8);
delay(50.2e-6);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char
SE[MAXSTR], /* coherence gradients & sensitivity enhance */
CT[MAXSTR], /* constant time in t1 */
CCdseq[MAXSTR],
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
C13refoc[MAXSTR], /* C13 pulse in middle of t1*/
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int icosel,
ni2 = getval("ni2"),
t1_counter,
t2_counter;
double tau1, /* t1 delay */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
CTdelay = getval("CTdelay"), /* total constant time evolution */
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
pwZa, /* the largest of 2.0*pw and 2.0
*pwN */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
ncyc_cc = getval("ncyc_cc"), /* number of DIPSI3 cycles for CC spinlock */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_12, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_80, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_92p5, /* dof shifted to 92.5ppm */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC */
p_d2, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine C13 power for 10 kHz rf for 500MHz magnet */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gstab = getval("gstab"),
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("SE",SE);
getstr("CT",CT);
getstr("CChomodec",CChomodec);
getstr("CCdseq",CCdseq);
getstr("C13refoc",C13refoc);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t9,1,phi9);
settable(t10,1,phi10);
settable(t5,4,phi5);
settable(t11,8,rec1);
/* INITIALIZE VARIABLES */
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_12 = tof + 8.0*sfrq; /* tof shifted to nH */
dof_92p5 = dof - 17.5*dfrq; /* dof shifted to C1' */
dof_80 = dof - 30*dfrq; /* dof shifted to C6 */
/* 1.9 kHz DIPSI-3 at 500MHz scaled to this sfrq*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0));
/* 7 kHz DIPSI-3 at 500MHz scaled to this sfrq*/
p_d2 = (5.0)/(9.0*4.0*7000.0*(sfrq/500.0));
ncyc_cc = (int) (ncyc_cc + 0.5);
if (ncyc_cc > 0 )
{
printf("CC-mixing time is %f ms.\n",(ncyc_cc*51.8*4*p_d2));
}
if( ncyc_cc > 12 )
{
text_error("check C->C dipsi-3 time !! ");
psg_abort(1);
}
initval(ncyc_cc,v2);
/* fine C13 power for dipsi-3 isotropic mixing */
rfd = (compC*4095.0*pwC*5.0)/(p_d2*9.0);
rfd = (int) (rfd + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
if (2.0*pw > 2.0*pwN) pwZa = 2.0*pw;
else pwZa = 2.0*pwN;
if ((CT[A]=='y') && (ni2/(4.0*sw2) > CTdelay))
{ text_error( " ni2 is too big. Make ni2 equal to %d or less.\n",
((int)(CTdelay*sw2*4.0)) ); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t5,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
icosel=1;
if (SE[A]=='y')
{
if (phase2 == 2)
{
tsadd(t10,2,4);
icosel = -1;
}
}
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* CHECK VALIDITY OF PARAMETER RANGE */
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
obsstepsize(0.5);
decpower(pwClvl);
decstepsize(0.5);
obsoffset(tof);
dec2power(pwNlvl);
dec2stepsize(0.5);
decoffset(dof_80); /* Preset the carbon frequency for the C1' carbons */
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
delay(lambda);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, 0.0);
dec2phase(t5);
delay(lambda - SAPS_DELAY);
simpulse(pw, pwC, zero, t5, 0.0, 0.0); /* 2x, -2x*/
dec2phase(zero);
txphase(one);
zgradpulse(gzlvl5,gt5);
delay(lambda - SAPS_DELAY - gt5);
simpulse(2*pw, 2*pwC, one, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - 2*SAPS_DELAY - gt5 - 2*POWER_DELAY);
decpwrf(4095.0);
txphase(zero);
decphase(zero);
if (C13refoc[A]=='y')
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magn. to z */
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magn. to z */
decphase(zero);
decpwrf(rfd);
starthardloop(v2);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
endhardloop();
decphase(t3);
decpwrf(4095.0);
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to z */
decoffset(dof_92p5); /* Preset the carbon frequency for the C1' carbon */
decrgpulse(pwC,t3,0.0,0.0); /* 4x,-4x flip transferred 13C-magnetization to x */
if (SE[A]=='y')
{
/***************** CONSTANT TIME EVOLUTION *****************/
if (CT[A]=='y') {
/***************/
initval(90.0, v9);
decstepsize(1.0);
dcplrphase(v9);
decphase(t9);
delay(CTdelay/2.0 - tau2);
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
dcplrphase(zero);
decphase(t10);
if (tau2 < gt1 + gstab)
{delay(CTdelay/2.0 - pwZa - gt1 - gstab);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2);}
else {delay(CTdelay/2.0 - pwZa);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2 - gt1 - gstab);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab - 2.0*GRADIENT_DELAY);}
/***************/
}
/********************************************************************/
/***************** NORMAL EVOLUTION *****************/
else {
/***************/
if (CChomodec[A]=='y')
{
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
}
decphase(zero);
delay(tau2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decphase(t9);
delay(gt1 + gstab - pwZa);
delay(tau2);
if (CChomodec[A]=='y')
{
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwClvl);
}
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
decphase(t10);
delay(gstab - 2.0*GRADIENT_DELAY);
/***************/
}
/********************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
decrgpulse(pwC, zero, 0.0, 0.0);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(lambda - 0.5*pwC - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(two);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(pw, pwC, two, zero, 0.0, 0.0);
txphase(zero);
delay(lambda - 0.5*pwC);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
dcplrphase(zero); /* SAPS_DELAY */
zgradpulse(gzlvl2, gt1/4.0); /* 2.0*GRADIENT_DELAY */
delay(lambda - gt1/4.0 - 0.5*pwC - 2.0*GRADIENT_DELAY - 2*POWER_DELAY - SAPS_DELAY);
}
else
{
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
zgradpulse(gzlvl4,gt4);
delay(gstab - 2*SAPS_DELAY - 2*POWER_DELAY - GRADIENT_DELAY);
rgpulse((lambda-gstab-gt4-pwC), two, 0.0, 0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
simpulse(2*pwC,2*pwC,two,zero,0.0,0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
rgpulse((pwHs2-2*pwC-(lambda-gstab-gt4-pwC)), two, 0.0, 0.0);
txphase(zero);
obspower(tpwr);
rgpulse(2*pw, zero, 0.0, 0.0);
obspower(tpwrs2);
rgpulse(pwHs2, two, 4.0e-6, 0.0);
decphase(t4);
zgradpulse(gzlvl4,gt4);
delay(gstab-2*pwC-2*SAPS_DELAY - POWER_DELAY - GRADIENT_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
setreceiver(t11);
}
pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
SE_flg[MAXSTR];
int icosel = 0,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,pwS8,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
shlvl1 = getval("shlvl1"),
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
d2 = getval("d2"),
timeTN = getval("timeTN"),
Delta,
tauNCO = getval("tauNCO"),
tauC = getval("tauC"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("SE_flg",SE_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t10,1,phi10);
settable(t12,8,phi12);
settable(t13,8,phi13);
/* INITIALIZE VARIABLES */
Delta = timeTN-tauNCO;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS8 = c_shapedpw("reburp",60.0 ,-135.0,zero, 0.0, 0.0);
pwS4 = h_shapedpw("eburp2",4.0,3.5,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",4.0,3.5,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
if (SE_flg[0] == 'y')
{
if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3-pwS4))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-Delta-pwS3-pwS4)*2.0*sw2))); psg_abort(1);}
}
else
{
if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-Delta-pwS3)*2.0*sw2))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) {tsadd(t1,1,4);}
if (SE_flg[0] =='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else
{
if (phase2 == 2) {tsadd(t3,1,4); icosel = 1;}
}
tau1 = d2;
if((f1180[A] == 'y') )
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
tau2 = d3;
if((f2180[A] == 'y') )
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
status(A);
decpower(pwClvl);
dec2power(pwNlvl);
set_c13offset("co");
zgradpulse(gzlvl6, gt6);
delay(1.0e-4);
delay(d1-gt6);
lk_hold();
rcvroff();
h_shapedpulse("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_shapedpulse("pc9f_",4.0,3.5,one, 2.0e-6, 0.0);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-Delta-pwS3-taunh*0.5-shpw1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(taunh*0.5);
dec2rgpulse(pwN,zero,0.0,0.0);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx CA->CO TRANSFER xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t2, 2.0e-6, 0.0);
/*
initval(0.0, v2);
decstepsize(1.0);
dcplrphase(v2);
*/
zgradpulse(gzlvl4, gt4);
delay(tauC*0.5-gt4);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(tauC-gt4);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);
delay(tauC*0.5);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3*3.5);
delay(1.0e-4);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("co");
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
delay(tau1*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 0.0,
two, zero, zero, 0.0, 0.0);
if (pwN*2.0 > pwS2) delay(pwN*2.0-pwS2);
c13pulse("co", "ca", "sinc", 90.0, t4, 0.0, 0.0);
/***************************************************************************/
/* CA->CO transfer */
/***************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);
initval(0.0, v2);
decstepsize(1.0);
dcplrphase(v2);
zgradpulse(gzlvl3, gt3*2.0);
delay(tauC*0.5-gt3*2.0);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);
zgradpulse(gzlvl3, gt3*2.0);
delay(tauC-gt3*2.0);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);
delay(tauC*0.5);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
/* dcplrphase(v2); */
/**************************************************************************/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
dec2rgpulse(pwN,t3,0.0,0.0);
delay(tau2*0.5+taunh*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-shpw1-taunh*0.5-gt1-1.0e-4);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
if (SE_flg[0] == 'y')
{
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-tau2*0.5-pwS4-Delta-pwS3);
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
dec2rgpulse(pwN, t10, 0.0, 0.0);
}
else
{
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-tau2*0.5-Delta-pwS3);
dec2rgpulse(pwN, zero, 0.0, 0.0);
}
/**************************************************************************/
if (SE_flg[0] == 'y')
{
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
dec2rgpulse(pwN, one, 0.0, 0.0);
h_shapedpulse("eburp2_",4.0,3.5,one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_shapedpulse("eburp2",4.0,3.5,zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
h_shapedpulse("reburp",4.0,3.5,zero, 0.0, 0.0);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5-POWER_DELAY-1.0e-4);
}
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
setreceiver(t13);
else
setreceiver(t12);
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* deuterium decoupling sequence */
spcosed[MAXSTR], /* waveform Co seduce 180 */
spcareb[MAXSTR], /* waveform Ca reburp 180 */
spca180[MAXSTR], /* waveform Ca hard 180 */
sel_flg[MAXSTR],
shp_sl[MAXSTR],
cacb_dec[MAXSTR],
cacbdecseq[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for ca nucleus @ d_c90 */
pwca180, /* PW180 for ca nucleus @ d_c180 */
pwca180dec, /* pwca180+pad */
pwcareb, /* pw180 at d_creb ~ 1.6 ms at 600 MHz */
pwcosed, /* PW180 at d_csed ~ 200us at 600 MHz */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90=sqrt(15)/4delta
delta is the separation between Ca and Co */
d_c180, /* power level for pwca180(sqrt(3)/2delta) */
d_creb, /* power level for pwcareb */
d_csed, /* power level for pwcosed */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pw_sl, /* selective pulse on water */
tpwrsl, /* power for pw_sl */
at,
sphase, /* small angle phase shift */
sphase1,
phase_sl,
d_cacbdec,
pwcacbdec,
dres_dec,
pwD, /* PW90 for higher power (pwDlvl) deut 90 */
pwDlvl, /* high power for deut 90 hard pulse */
compC, /* C-13 RF calibration parameters */
pwC,
pwClvl,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("cacb_dec",cacb_dec);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
pw_sl = getval("pw_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
sphase1 = getval("sphase1");
phase_sl = getval("phase_sl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
if(autocal[0]=='n')
{
getstr("spcosed",spcosed);
getstr("spcareb",spcareb);
getstr("spca180",spca180);
getstr("cacbdecseq",cacbdecseq);
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
d_creb = getval("d_creb");
d_csed = getval("d_csed");
pwc90 = getval("pwc90");
pwca180 = getval("pwca180");
pwca180dec = getval("pwca180dec");
pwcareb = getval("pwcareb");
pwcosed = getval("pwcosed");
d_cacbdec = getval("d_cacbdec");
pwcacbdec = getval("pwcacbdec");
dres_dec = getval("dres_dec");
}
else
{
strcpy(spcosed,"Phard_118p");
strcpy(spcareb,"Preburp_-15p");
strcpy(spca180,"Phard_-118p");
strcpy(cacbdecseq,"Pcb_dec");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
co180 = pbox(spcosed, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(spcareb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
cbdec = pbox(cacbdecseq, CBDEC,CBDECps, dfrq, compC*pwC, pwClvl);
c90 = pbox("Phard90", C90, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_c90 = c90.pwr;
d_c180 = ca180.pwr;
d_creb = creb.pwr;
d_csed = co180.pwr;
pwc90 = c90.pw;
pwca180 = ca180.pw;
pwca180dec = ca180.pw;
pwcareb = creb.pw;
pwcosed = co180.pw;
d_cacbdec = cbdec.pwr;
pwcacbdec = 1.0/cbdec.dmf;
dres_dec = cbdec.dres;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,2,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ix==1)
printf("Uses shared AT in the N dimension. Choose ni2 as desired\n");
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > -16 )
{
printf("DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3
|| gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3
|| gt7 > 3e-3 || gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3)
{
printf("gti values must be < 3e-3\n");
psg_abort(1);
}
if(tpwrsl > 30) {
printf("tpwrsl must be less than 25\n");
psg_abort(1);
}
if( pwDlvl > 59) {
printf("pwDlvl too high\n");
psg_abort(1);
}
if( dpwr3 > 50) {
printf("dpwr3 too high\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
printf("too long pw_sl\n");
psg_abort(1);
}
if(d_cacbdec > 40) {
printf("d_cacbdec is too high; < 41\n");
psg_abort(1);
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
printf("nietl_flg and sel_flg cannot both be y\n");
psg_abort(1);
}
if (fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow C' evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t2,1,4);
if (phase2 == 2) {
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Set up f1180 tau2 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1)
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
}
if(f1180[A] == 'n')
tau1 = ( tau1
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 0.2e-6;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t3,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_c180); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
decoffset(dof);
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three);
dec2phase(zero);
decphase(zero);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
decpower(d_c180);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(tauc);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
decpower(d_c180);
initval(1.0,v5);
dec2stepsize(45.0);
dcplr2phase(v5);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay(tauc - 1.34e-3 - 2.0*pw);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
/* END sel_flg */
decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
/* Cay to CaxC'z */
dec2phase(zero);
txphase(zero);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
delay(taud -POWER_DELAY -4.0e-6 -WFG_START_DELAY);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
else
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof+(174-56)*dfrq); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4,gt4);
delay(100.0e-6);
/* t1 period for C' chemical shift evolution; Ca 180 and N 180 are used
to decouple */
decrgpulse(pwc90,t2,2.0e-6,0.0);
if (fc180[A]=='n')
{
decpower(d_c180);
delay(tau1);
decshaped_pulse(spca180,pwca180dec,zero,4.0e-6,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau1);
decpower(d_c90);
}
else
decrgpulse(2*pwc90,zero,0.0,0.0);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof); /* set carrier to Ca */
delay(2.0e-7);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
/* Refocusing CayC'z to Cax */
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
delay(taud - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
else
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decpower(d_c180);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl10,gt10);
delay(100.0e-6);
/* Constant t2 period */
if (bigTN - tau2 >= 0.2e-6)
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2phase(t4);
delay(bigTN - tau2 + pwca180);
dec2rgpulse(2*pwN,t4,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(t5);
decpower(d_csed);
delay(bigTN - gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
else
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2rgpulse(2.0*pwN,t4,2.0e-6,2.0e-6);
dec2phase(t5);
delay(tau2 - bigTN);
decrgpulse(pwca180,zero,0.0,0.0);
decpower(d_csed);
delay(bigTN - pwca180 - POWER_DELAY
- gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
if (nietl_flg[A] == 'n')
{
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,4.0e-6,0.0);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pw_sl
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
}
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2, gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter=getval("t1_counter"), /* used for states tppi in t1 */
t2_counter=getval("t2_counter"), /* used for states tppi in t2 */
nli = getval("nli"),
nli2 = getval("nli2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a = getval("pwC3a"), /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power for pwHs pulse */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* the pwC3 pulse at the middle of t1 */
if ((nli2 > 0.0) && (nli == 1.0)) nli = 0.0;
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0;
if ( nli > 1 ) pwC3 = pwC3a;
if ( pwC3 > 0 ) phshift3 = 48.0;
else phshift3 = 0.0;
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*nli2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" nli2 is too big. Make nli2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (nli>1 || nli2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
if( ix == 1) d2_init = d2;
tau1 = d2_init + (t1_counter) / sw1;
if((f1180[A] == 'y') && (nli > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
if( ix == 1) d3_init = d3;
tau2 = d3_init + (t2_counter) / sw2;
if((f2180[A] == 'y') && (nli2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf); tpwrs=tpwrs+6.0;}
obspower(tpwrs);
if (TROSY[A]=='y')
{txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - 0.5*kappa - WFG3_START_DELAY);
}
else
{txphase(zero);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
}
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
if ((nli>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 13C evolution during pwC6 is at 60% rate */
decpwrf(rf3);
if(tau1 - 0.6*pwC6 - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 0.6*pwC6 - WFG3_START_DELAY - 0.5*pwZ);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC3", "", 0.0, pwC3a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift3, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(tau1 - 0.6*pwC6 - SAPS_DELAY - 0.5*pwZ- WFG_START_DELAY - 2.0e-6);
}
else
{
initval(180.0, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(2.0*tau1 - 2.0*0.6*pwC6 - SAPS_DELAY - WFG_START_DELAY - 2.0e-6);
}
}
else if ((nli==1.0) && (pwC3==1.0e-6)) /* 13CO evolution for dof calib. */
{
decpwrf(rf8);
delay((1.0/(dfrq*80.0)) + 2.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0);
}
else if (nli==1.0) /* special 1D check of pwC3 phase enabled when nli=1 */
{
decpwrf(rf3);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1 + WFG_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC3", "", 0.0, pwC3, 2.0*pwN, zero, zero, zero,
2.0e-6 , 0.0);
initval(phshift3, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else /* 13CO evolution refocused for 1st increment, or when nli=0 */
{
decpwrf(rf8);
delay(12.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0);
delay(10.0e-6);
}
decphase(t5);
decpwrf(rf6);
delay(2.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
txphase(one);
dcplrphase(zero);
delay(2.0e-4);
if (TROSY[A]=='n')
{rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();}
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf8);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
dec2phase(t10);
decpwrf(rf3);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC3a - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl2, gt1/10.0);
else zgradpulse(gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 );
setreceiver(t12);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char
URA[MAXSTR], /* Setup for U-imino - U-H6 */
flipback[MAXSTR],
CCdseq[MAXSTR],
CYT[MAXSTR], /* Setup for C-imino - C-H6 */
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
C5[MAXSTR], /* Setup for C-imino - C-H6 */
C6[MAXSTR], /* Setup for C-imino - C-H6 */
CT[MAXSTR], /* constant time in t1 */
N15refoc[MAXSTR], /* N15 pulse in middle of t1*/
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int ni2 = getval("ni2"),
t1_counter,
t2_counter;
double
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
tau1, /* t1 delay */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
lambdaN = 0.94/(4.0*getval("JNH")), /* 1/4J N-H INEPT delay */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
rfN, /* maximum fine power when using pwN pulses */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
rfH, /* maximum fine power when using pw pulses */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_65, /* tof shifted to 6.0 ppm for H4-N4 transfer */
tof_125, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_169, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_140, /* dof shifted to 140 ppm for C4-C5-C6 transfer and DEC1 */
dof_104, /* dof shifted to 104 ppm for C4-C5-C6 transfer and DEC1 */
dof_153, /* dof shifted to 153 ppm for C4-C5-C6 transfer and DEC1 */
dof_135, /* dof shifted to 135 ppm for C4-C5-C6 transfer and DEC1 */
dof_120, /* dof shifted to 120 ppm for C4-C5-C6 transfer and DEC1 */
dof_130, /* dof shifted to 130 ppm for C4-C5-C6 transfer and DEC1 */
dof_141, /* dof shifted to 141 ppm for C4-C5-C6 transfer and DEC1 */
dof_133, /* dof shifted to 132.5 ppm for C4-C5-C6 transfer and DEC1 */
dof_123, /* dof shifted to 122.5 ppm for C4-C5-C6 transfer and DEC1 */
dof_98, /* dof shifted to 98.0 ppm for C4-C5-C6 transfer and DEC1 */
dof_175, /* dof shifted to 175 ppm for C4-C5-C6 transfer and DEC1 */
dof2_98, /* dof2 shifted to 98.5 ppm for H4-N4 and N4-C4 transfer */
dof2_160, /* dof2 shifted to 160 ppm for H3-N3 and N3-C4 transfer */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC-rfdN-rfdH */
pwZa, /* the largest of 2.0*pw and 2.0*pwN */
rfdC, /* fine C13 power for 1.9 kHz rf for 500MHz magnet */
p_d2, /* 50 degree pulse for DIPSI-3 at rfdC3 */
rfdC3, /* fine C13 power for 10 kHz rf for 500MHz magnet */
rfdN, /* fine N15 power for 1.9 kHz rf for 500MHz magnet */
rfdH, /* fine H1 power for 1.9 kHz rf for 500MHz magnet */
ncyc_hn = getval("ncyc_hn"), /* number of pulsed cycles in HN half-DIPSI-3 */
ncyc_nc = getval("ncyc_nc"), /* number of pulsed cycles in NC DIPSI-3 */
ncyc_cc = getval("ncyc_cc"), /* number of pulsed cycles in CC DIPSI-3 */
CTdelay = getval("CTdelay"), /* total constant time evolution */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gstab = getval("gstab"),
finepwrf = getval("finepwrf"), /* fine power adjustment */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("URA",URA);
getstr("flipback",flipback);
getstr("CYT",CYT);
getstr("C5",C5);
getstr("C6",C6);
getstr("CT",CT);
getstr("N15refoc",N15refoc);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("CCdseq",CCdseq);
getstr("CChomodec",CChomodec);
/* LOAD PHASE TABLE */
/*
static int phi1[2] = {0,2},
phi3[8] = {0,0,0,0, 2,2,2,2},
phi4[16]= {0,0,0,0, 0,0,0,0, 2,2,2,2, 2,2,2,2},
phi5[4] = {0,0,2,2},
rec2[8] = {0,2,2,0, 2,0,0,2};
*/
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t5,4,phi5);
settable(t10,8,rec2);
/* INITIALIZE VARIABLES */
if (2.0*pw > 2.0*pwN) pwZa = 2.0*pw;
else pwZa = 2.0*pwN;
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* maximum fine power for pwN pulses */
rfN = 4095.0;
/* maximum fine power for pw pulses */
rfH = 4095.0;
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
/* For U 10-15 ppm in Imino region during acquisition (ie 12.5 +/- 2.5 ppm)
and 4.5 -9 ppm during indirect dimensional acquisition (ie 6.75 +/- 2.25 ppm)
For C 4.5 -9ppm (6.75 +/- 2.25ppm) during indirect acqusisition and 6-9ppm during direct (7.5 +/- 1.5ppm)
*/
tof_65 = tof + 2.05*sfrq; /* tof shifted to nH2/nH */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_125 = tof + 7.8*sfrq; /* tof shifted to nH */
dof_175 = dof + 65*dfrq; /* dof shifted to C4 */
dof_169 = dof + 59*dfrq; /* dof shifted to C4 */
dof_140 = dof + 30*dfrq; /* dof shifted to C6 */
dof_104 = dof - 6.0*dfrq; /* dof shifted to C6 */
dof_141 = dof + 31*dfrq; /* dof shifted to C6 */
dof_153 = dof + 43*dfrq; /* dof shifted to C6 */
dof_135 = dof + 25*dfrq; /* dof shifted to C6 */
dof_133 = dof + 22.5*dfrq; /* dof shifted to C6 */
dof_120 = dof + 10*dfrq; /* dof shifted to C6 */
dof_130 = dof + 20*dfrq; /* dof shifted to C6 */
dof_98 = dof - 12*dfrq; /* dof shifted to C6 */
dof_123 = dof + 12.5*dfrq; /* dof shifted to C6 */
dof2_160 = dof2 - 40*dfrq2; /* dof2 shifted to Nh */
dof2_98 = dof2 - 101.5*dfrq2; /* dof2 shifted to Nh2 */
/* 1.9 kHz field strength DIPSI-3 at 500MHz adjusted for this sfrq*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0));
/* fine C13 power for dipsi-3 isotropic mixing on C4 region */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
/* 10 kHz field strength DIPSI-3 at 500MHz adjusted for this sfrq*/
p_d2 = (5.0)/(9.0*4.0*10000.0*(sfrq/500.0));
/* fine C13 power for dipsi-3 isotropic mixing on C2/C6 region */
rfdC3 = (compC*4095.0*pwC*5.0)/(p_d2*9.0);
rfdC3 = (int) (rfdC3 + 0.5);
/* fine N15 power for dipsi-3 isotropic mixing on Nh region */
rfdN = (compN*4095.0*pwN*5.0)/(p_d*9.0);
rfdN = (int) (rfdN + 0.5);
/* fine H1 power for half dipsi-3 isotropic mixing on nH2 region */
rfdH = (compH*4095.0*pw*5.0)/(p_d*9.0);
rfdH = (int) (rfdH + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
/* number of cycles and mixing time */
ncyc_nc = (int) (ncyc_nc + 0.5);
ncyc_hn = (int) (ncyc_hn + 0.5);
ncyc_cc = (int) (ncyc_cc + 0.5);
if (ncyc_nc > 0 )
{
printf("NC-mixing time is %f ms.\n",(ncyc_nc*51.8*4*p_d));
}
if (ncyc_cc > 0 )
{
printf("CC-mixing time is %f s.\n",(ncyc_cc*51.8*4*p_d2));
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t5,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t5,2,4); tsadd(t10,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
if (phase2 == 2)
{
tsadd(t3,1,4);
}
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t10,2,4);
}
/* CHECK VALIDITY OF PARAMETER RANGE */
if ((CT[A]=='y') && (ni/sw1 > CTdelay))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)(CTdelay*sw1)) ); psg_abort(1); }
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
if( ncyc_hn > 2 )
{
text_error("check H->N half-dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_nc > 7 )
{
text_error("check N->C dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_cc > 7 )
{
text_error("check C->C dipsi-3 time !! ");
psg_abort(1);
}
if((C5[A] == 'y') && ( ncyc_cc > 4) )
{
text_error("check C->C dipsi-3 time equal to 6.5 ms !! ");
psg_abort(1);
}
if((C6[A] == 'y') && (( ncyc_cc > 6) || ( ncyc_cc < 3)))
{
text_error("check C->C dipsi-3 time equal to 13 ms !! ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CYT[A] == 'y') )
{
text_error("Choose either URA or CYT !! ");
psg_abort(1);
}
if( (URA[A] == 'n') && (CYT[A] == 'n') )
{
text_error("Do you really want to run this experiment ?? ");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
obspwrf(rfH);
obsstepsize(0.5);
decpower(pwClvl);
decpwrf(rfC);
decstepsize(0.5);
dec2power(pwNlvl);
dec2pwrf(rfN);
dec2stepsize(0.5);
if (C6[A]=='y') decoffset(dof_141); /* frequency for the NC-tocsy */
if (URA[A] == 'y')
{
obsoffset(tof_65); /* Set the proton frequency to U-nH */
dec2offset(dof2_160); /* Set the nitrogen frequency to U-Nh */
if (C5[A]=='y') decoffset(dof_104);
}
else if (CYT[A] == 'y')
{
obsoffset(tof_65); /* Set the proton frequency to C-nH2 */
dec2offset(dof2_98); /* Set the nitrogen frequency to C-Nh2 */
if (C5[A]=='y') decoffset(dof_98);
}
else
{
}
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
initval(ncyc_nc,v11);
initval(ncyc_cc,v2);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* x,-x */
txphase(zero);
delay(lambda);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, 0.0);
decphase(t5);
delay(lambda);
simpulse(pw, pwC, one, t5, 0.0, 0.0); /* x, -x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
simpulse(2*pw, 2*pwC, one, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5 - 2*POWER_DELAY);
if (CChomodec[A]=='y')
{
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
if (N15refoc[A]=='y')
{
if (tau1 > (pwN + 0.64*pw))
{
delay(tau1 - pwN - 0.64*pw);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else if (tau1 > 0.64*pw)
delay(2.0*tau1 - 2.0*0.64*pw);
}
else
{
if (tau1 > pw)
{
delay(tau1 - 0.64*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(tau1 - 0.64*pw);
}
else
delay(2.0*tau1);
}
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwClvl);
} /* END CC H**O DEC */
else
{
/***************** CONSTANT TIME EVOLUTION *****************/
if (CT[A]=='y') {
/***************/
delay(CTdelay/2.0 - tau1);
decrgpulse(2.0*pwC, zero, 2.0e-6, 0.0);
{delay(CTdelay/2.0 - pwZa);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);}
delay(tau1);
/***************/
}
else if (N15refoc[A]=='y')
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{
if (tau1 > (2.0*GRADIENT_DELAY + pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*pw - SAPS_DELAY );
}
} /* End No CC homodec */
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magnetization to x */
decoffset(dof_135); /* frequency for the NC-tocsy */
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
decpwrf(rfdC3);
starthardloop(v2);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
endhardloop();
decphase(one);
decpwrf(rfC);
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to x */
decoffset(dof_175);
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magnetization to x */
decpwrf(rfdC); /* Set fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
dec2phase(zero);
decphase(zero);
starthardloop(v11);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
endhardloop();
obspwrf(rfH);
decpwrf(rfC);
dec2pwrf(rfN);
obsoffset(tof);
txphase(zero);
decphase(one);
if (tau2 > 0.0)
{
if (tau2 > (2.0*GRADIENT_DELAY + pwC + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
delay(0.2*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw) - SAPS_DELAY);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
delay(0.2*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
}
else if (tau2 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau2 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{;}
if( CYT[A] == 'y' )
{
zgradpulse(gzlvl5,gt5);
delay(lambdaN/2.0 - gt5);
sim3pulse(2*pw, 0.0, 2*pwN,zero, zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN/2.0 - gt5);
}
else if( URA[A] == 'y' )
{
zgradpulse(gzlvl5,gt5);
delay(lambdaN - gt5);
sim3pulse(2*pw, 0.0, 2*pwN,zero, zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - gt5);
}
dec2rgpulse(pwN,t3,0.0,0.0);
if (flipback[A]=='y')
{
zgradpulse(gzlvl3,gt3);
delay(gstab);
txphase(zero);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
}
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
obspwrf(finepwrf);
zgradpulse(gzlvl4,gt4);
delay(lambdaN - 2.0*POWER_DELAY - gt4 -rof1 -2.0*GRADIENT_DELAY - pwHs2);
rgpulse(pwHs2, two, rof1, rof1);
obspower(tpwr);
obspwrf(4095.0);
sim3pulse(2*pw, 0.0, 2*pwN, zero, zero, zero, rof1, rof1);
obspwrf(finepwrf);
obspower(tpwrs2);
rgpulse(pwHs2, two, rof1, rof1);
zgradpulse(gzlvl4,gt4);
delay(lambdaN - 3*POWER_DELAY - gt4 - 2.0*GRADIENT_DELAY - pwHs2);
dec2rgpulse(pwN,t4,0.0,0.0);
dec2rgpulse(pwN,zero,0.0,0.0);
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
rcvron();
setreceiver(t10);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
t1a, /* time increments for first dimension */
t1b,
t1c,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeAB = getval("timeAB"), /* set timeAB=1.9e-3 to get only Ha */
/* set timeAB=3.3e-3 to maximize Hb */
/* set timeAB=2.8e-3 for both Ha/Hb */
zeta = 3.0e-3,
eta = 4.6e-3,
theta = 14.0e-3,
kappa = 5.4e-3,
lambda = 2.4e-3,
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab(46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Cab(46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC4" etc are called */
/* directly from your shapelib. */
pwC4 = getval("pwC4"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC5 = getval("pwC5"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC7 = getval("pwC7"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf4, /* fine power for the pwC4 ("offC4") pulse */
rf5, /* fine power for the pwC5 ("offC5") pulse */
rf7, /* fine power for the pwC7 ("offC7") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwH, /* H1 90 degree pulse length at tpwr1 */
tpwr1, /* 7.3 kHz rf for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
ncyc_dec,
waltzB1=getval("waltzB1"), /* RF strength for 1H decoupling */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( pwC > 24.0e-6*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = (compC*4095.0*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf4 = (compC*4095.0*pwC*2.0)/pwC4;
rf4 = (int) (rf4 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf5 = (compC*4095.0*pwC*1.69)/pwC5; /* needs 1.69 times more */
rf5 = (int) (rf5 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
/* power level and pulse times for DIPSI 1H decoupling */
DIPSI2time = 2.0*3.0e-3 + 2.0*14.0e-3 + 2.0*timeTN - 5.4e-3 + 0.5*pwC1 + 2.0*pwC5 + 5.0*pwN + 2.0*gt3 + 1.0e-4 + 4.0*GRADIENT_DELAY + 2.0*POWER_DELAY + 8.0*PRG_START_DELAY;
pwH = 1.0/(4.0*waltzB1);
ncyc_dec = (DIPSI2time*90.0)/(pwH*2590.0*4.0);
ncyc_dec = (int) (ncyc_dec+0.5);
pwH = (DIPSI2time*90.0)/(ncyc_dec*2590.0*4.0); /*fine correction of pwH */
tpwr1 = 4095.0*(compH*pw/pwH);
tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */
if (ix == 1)
{
fprintf(stdout, "\nNo of DIPSI-2 cycles = %4.1f\n",ncyc_dec);
fprintf(stdout, "\nfine power for DIPSI-2 pulse =%6.1f\n",tpwr1);
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt0 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* For ni<2 (calibration) set timeAB=1.5ms to get avoid signal cancellation between Ha and Hb */
if (ni < 2.0) timeAB=1.5e-3;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
lk_sample(); /*freezes z0 correction, stops lock pulsing*/
if ((ni/sw1-d2)>0)
delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/
if ((ni2/sw2-d3)>0)
delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(one);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gzlvl0=0.0; gzlvl3=0.0; gzlvl4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, one, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
if((t1a -2.0*pwC) > 0.0) delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(5.0e-5);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, zero, 0.0, 0.0);
/* point c */
zgradpulse(gzlvl4, gt4);
decpwrf(rf2);
delay(timeAB - gt4);
simpulse(2*pw, pwC2, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(timeAB - gt4);
/* point d */
/* ghc_co_nh STOPS HERE */
/* gcbca_co_nh STARTS HERE */
decpwrf(rf1); /* point b */
decrgpulse(pwC1, zero, 2.0e-6, 0.0);
obspwrf(tpwr1); obspower(tpwr-6); /* POWER_DELAY */
obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */
xmtron();
/* point c */
decpwrf(rf0);
decphase(t5);
delay(zeta - 2.0*POWER_DELAY - PRG_START_DELAY - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, t5, 0.0, 0.0); /* Shaka composite */
decrgpulse(pwC*145.5/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, t6, 0.0, 0.0);
decpwrf(rf1);
decphase(zero);
delay(zeta - 0.5*10.933*pwC - 0.5*pwC1);
/* point d */
decrgpulse(pwC1, zero, 0.0, 0.0);
decphase(t5);
decpwrf(rf5);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC5", pwC5, t5, 0.0, 0.0);
/* point e */
decpwrf(rf4);
decphase(zero);
delay(eta);
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
decpwrf(rf7);
dec2phase(zero);
delay(theta - eta - pwC4 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decpwrf(rf5);
decpwrf(rf5);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
/* point f */
decshaped_pulse("offC5", pwC5, zero, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl3, gt3);
if (TROSY[A]=='y') { xmtroff(); obsprgoff(); }
delay(2.0e-4);
dcplrphase(zero);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decpwrf(rf7);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
dec2phase(t10);
decpwrf(rf4);
if (TROSY[A]=='y')
{
if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
txphase(t4);
delay(timeTN - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
txphase(t4);
delay(timeTN -pwC4 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > (kappa - pwC4 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(kappa -pwC4 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - tau2 - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa-tau2-pwC4-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2);
}
} /* point g */
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ddseq[MAXSTR], /* deuterium decoupling sequence */
shp_sl[MAXSTR],
shcreb[MAXSTR], /* reburp shape for center of t1 period */
shcgcob[MAXSTR], /* g3 inversion at 154 ppm (350 us) */
shcgcoib[MAXSTR], /* g3 time inversion at 154 ppm (350 us) */
shca180[MAXSTR], /* Ca 180 [D/sq(3)] during 15N CT */
shco180[MAXSTR], /* Co 180 [D/sq(15)] during 15N CT */
sel_flg[MAXSTR], /* active/passive purging of undesired
component */
fCT[MAXSTR], /* Flag for constant time C13 evolution */
fc180[MAXSTR],
cal_sphase[MAXSTR],
shared_CT[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni2, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
del1, /* time for C'-N to refocus set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
bigTC, /* carbon T period */
zeta, /* delay for transfer from ca to cb = 3.5 ms */
tsatpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tauf, /* 1/2J NH value */
pw_sl, /* selective pulse on water */
phase_sl, /* phase on water */
tpwrsl, /* power for pw_sl */
at,
d_cgcob, /* power level for g3 pulses at 154 ppm */
d_creb, /* power level for reburp 180 at center of t1 */
pwcgcob, /* g3 ~ 35o us 180 pulse */
pwcreb, /* reburp ~ 400us 180 pulse */
pwD, /* 2H 90 pulse, about 125 us */
pwDlvl, /* 2H 90 pulse, about 125 us */
pwca180, /* Ca 180 during N CT at d_ca180 */
pwco180, /* Co 180 during N CT at d_co180 */
d_ca180,
d_co180,
compC = getval("compC"), /* C-13 RF calibration parameters */
pwC = getval("pwC"),
pwClvl = getval("pwClvl"),
pwN,
pwNlvl,
sphase,
pw_sl1,
tpwrsl1,
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt11,
gt13,
gt14,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl11,
gzlvl13,
gzlvl14;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("fCT",fCT);
getstr("fc180",fc180);
getstr("cal_sphase",cal_sphase);
getstr("shared_CT",shared_CT);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
del1 = getval("del1");
bigTN = getval("bigTN");
bigTC = getval("bigTC");
zeta = getval("zeta");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
tauf = getval("tauf");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
pw_sl1 = getval("pw_sl1");
tpwrsl1 = getval("tpwrsl1");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt11 = getval("gt11");
gt13 = getval("gt13");
gt14 = getval("gt14");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl11 = getval("gzlvl11");
gzlvl13 = getval("gzlvl13");
gzlvl14 = getval("gzlvl14");
if(autocal[0]=='n')
{
getstr("shcgcob",shcgcob);
getstr("shcgcoib",shcgcoib);
getstr("shcreb",shcreb);
getstr("shca180",shca180);
getstr("shco180",shco180);
d_ca180 = getval("d_ca180");
d_co180 = getval("d_co180");
d_cgcob = getval("d_cgcob");
d_creb = getval("d_creb");
pwca180 = getval("pwca180");
pwco180 = getval("pwco180");
pwcgcob = getval("pwcgcob");
pwcreb = getval("pwcreb");
}
else
{
strcpy(shcgcob,"Pg3_107p");
strcpy(shcgcoib,"Pg3i_107p");
strcpy(shcreb,"Preb_on");
strcpy(shca180,"Phard_15p");
strcpy(shco180,"Phard_133p");
if (FIRST_FID)
{
cgcob = pbox(shcgcob, G3CGCOB, CAB180ps, dfrq, compC*pwC, pwClvl);
cgcoib = pbox(shcgcoib, G3CGCOBi, CAB180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(shcreb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(shca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
co180 = pbox(shco180, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_ca180 = ca180.pwr;
d_co180 = co180.pwr;
d_cgcob = cgcob.pwr;
d_creb = creb.pwr;
pwca180 = ca180.pw;
pwco180 = co180.pw;
pwcgcob = cgcob.pw;
pwcreb = creb.pw;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,1,phi4);
settable(t5,16,phi5);
settable(t6,8,phi6);
settable(t7,1,phi7);
settable(t8,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(shared_CT[A] == 'n')
if(bigTN - 0.5*(ni2 -1)/sw2 - POWER_DELAY < 0.2e-6)
{
text_error(" ni2 is too big\n");
text_error(" please set ni2 smaller or equal to %d\n",
(int) ((bigTN -POWER_DELAY)*sw2*2.0) +1 );
psg_abort(1);
}
if(fCT[A] == 'y')
if(bigTC - 0.5*(ni-1)/sw1 - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 < 0.2e-6) {
text_error("ni is too big\n");
text_error(" please set ni smaller or equal to %d\n",
(int) ((bigTC - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6)*sw1*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 47 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 63 )
{
text_error("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pwNlvl > 63 )
{
text_error("don't fry the probe, pwNlvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
text_error("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( f1180[A] != 'n' && f2180[A] != 'n' ) {
text_error("flags may be set wrong: set f1180=n and f2180=n for 3d\n");
psg_abort(1);
}
if(d_ca180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if(d_co180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if( gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3
|| gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3
|| gt11 > 15e-3 || gt13 > 15e-3
|| gt14 > 15e-3)
{
text_error("gti values must be < 15e-3\n");
psg_abort(1);
}
if(tpwrsl > 25) {
text_error("tpwrsl must be less than 25\n");
psg_abort(1);
}
if(tpwrsl1 > 25) {
text_error("tpwrsl1 must be less than 25\n");
psg_abort(1);
}
if( dpwr3 > 50) {
text_error("dpwr3 too high\n");
psg_abort(1);
}
if( del1 > 0.1 ) {
text_error("too long del1\n");
psg_abort(1);
}
if( zeta > 0.1 ) {
text_error("too long zeta\n");
psg_abort(1);
}
if( bigTN > 0.1) {
text_error("too long bigTN\n");
psg_abort(1);
}
if( bigTC > 0.1) {
text_error("too long bigTC\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
text_error("too long pw_sl\n");
psg_abort(1);
}
if( pw_sl1 > 10e-3) {
text_error("too long pw_sl1\n");
psg_abort(1);
}
if( at > 0.1 && dm2[D] == 'y') {
text_error("too long at with dec2\n");
psg_abort(1);
}
if(pwDlvl > 59) {
text_error("pwDlvl is too high; <= 59\n");
psg_abort(1);
}
if(d_creb > 62) {
text_error("d_creb is too high; <= 62\n");
psg_abort(1);
}
if(d_cgcob > 60) {
text_error("d_cgcob is too high; <=60\n");
psg_abort(1);
}
if(cal_sphase[A] == 'y') {
text_error("Use only to calibrate sphase\n");
text_error("Set zeta to 600 us, gt11=gt13=0, fCT=y, fc180=n\n");
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
text_error("Both nietl_flg and sel_flg cannot by y\n");
psg_abort(1);
}
if (fCT[A] == 'n' && fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow Calfa/Cbeta evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
/* changed from 1 to 3; spect. rev. not needed */
if (phase == 2) { tsadd(t2,3,4); tsadd(t3,3,4); }
if (shared_CT[A] == 'n')
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = 1; }
else icosel = -1;
}
else
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = -1; }
else icosel = 1;
}
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t8,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t8,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y' && fCT[A] == 'y')
tau1 += ( 1.0 / (2.0*sw1) );
if(f1180[A] == 'y' && fCT[A] == 'n')
tau1 += (1.0 / (2.0*sw1) - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(f1180[A] == 'n' && fCT[A] == 'n')
tau1 = (tau1 - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 4.0e-7;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec3power(pwDlvl); /* Set Dec3 for 2H hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,0.0,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
dec2phase(t1); decphase(zero);
delay(taua - gt5 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'y')
{
rgpulse(pw,one,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,two,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY);
rgpulse(pw,zero,0.0,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(zero);
delay(del1 - 1.34e-3 - 4.0*pw - 4.0e-6
- POWER_DELAY + WFG_START_DELAY + pwca180 + WFG_STOP_DELAY);
}
else
{
rgpulse(pw,three,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dec2phase(zero);
decpower(d_ca180);
delay(del1 - POWER_DELAY + WFG_START_DELAY
+ pwca180 + WFG_STOP_DELAY);
}
decphase(zero);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(one);
delay(del1);
dec2rgpulse(pwN,one,0.0,0.0);
decpower(pwClvl);
decphase(t2);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
dec2phase(t5);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwC,t2,0.0,0.0);
delay(zeta
- PRG_STOP_DELAY - DELAY_BLANK - POWER_DELAY - 4.0e-6
- pwD
- gt11 - 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt11 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- DELAY_BLANK - POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,t3,4.0e-6,0.0);
if (fCT[A] == 'y')
{
delay(tau1);
decpower(d_cgcob);
decshaped_pulse(shcgcob,pwcgcob,zero,4.0e-6,0.0);
delay(bigTC - POWER_DELAY - WFG_START_DELAY - 4.0e-6
- pwcgcob - WFG_STOP_DELAY
- 102.0e-6 - gt14
- PRG_STOP_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(bigTC - tau1 - WFG_STOP_DELAY - gt14
- 102.0e-6 - POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwcgcob - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6);
decpower(d_cgcob);
decshaped_pulse(shcgcoib,pwcgcob,zero,4.0e-6,0.0);
decphase(t4);
}
else if(fCT[A] == 'n' && fc180[A] == 'n')
{
delay(tau1);
delay(tau1);
}
else if(fCT[A] == 'n' && fc180[A] == 'y')
{
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,0.0);
dcplrphase(zero);
}
decpower(pwClvl);
decrgpulse(pwC,t4,4.0e-6,0.0);
delay(zeta - POWER_DELAY - 4.0e-6
- pwD - PRG_STOP_DELAY - DELAY_BLANK
- gt13
- 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v5);
decstepsize(sphase);
dcplrphase(v5);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt13 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(200.0e-6);
if (shared_CT[A] == 'n')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(t6);
delay(bigTN - tau2 - POWER_DELAY);
dec2rgpulse(2*pwN,t6,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(t7);
delay(bigTN - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY
- gt1 - 2.0*GRADIENT_DELAY - 500.2e-6
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwco180 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_co180);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(tau2);
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
else if (shared_CT[A] == 'y')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_co180);
dec2phase(t6);
if (bigTN - tau2 >= 0.2e-6)
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
decpower(d_ca180);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180 - WFG_STOP_DELAY
- POWER_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2rgpulse(2*pwN,t6,0.0,0.0);
delay(bigTN - tau2);
}
else
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_ca180);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180
- WFG_STOP_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- POWER_DELAY - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
delay(tau2 - bigTN);
dec2rgpulse(2.0*pwN,t6,0.0,0.0);
}
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
/* end of shared_CT */
if (nietl_flg[A] == 'n')
{
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf - POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{ /* nietl_flg == y */
/* shaped pulse */
obspower(tpwrsl1);
shaped_pulse(shp_sl,pw_sl1,zero,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl1 - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY
- POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
} /* end of nietl_flg == y */
delay(gt2 +gstab -0.5*(pwN-pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr); /* NO 13C decoupling */
dec2power(dpwr2); /* NO 15N decoupling */
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t8);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
COrefoc[MAXSTR],
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeNCA = getval("timeNCA"),
timeC = getval("timeC"),
lambda = 1.0/(4.0*getval("JNH")),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwS1, /* length of square 90 on Ca */
phshift, /* phase shift induced on Ca by 180 on CO in middle of t1 */
pwS2, /* length of 180 on CO */
pwS = getval("pwS"), /* used to change 180 on CO in t1 for 1D calibrations */
pwZ, /* the largest of pwS2 and 2.0*pwN */
pwZ1, /* the largest of pwS2 and 2.0*pwN for 1D experiments */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("COrefoc",COrefoc);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
pwHs = 1.7e-3*500.0/sfrq; /* length of H2O flipback, 1.7ms at 500 MHz*/
widthHd = 34.0; /* bandwidth of H1 WALTZ16 decoupling, 7.3 kHz at 600 MHz */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* get calculated pulse lengths of shaped C13 pulses
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0); */
/* the 180 pulse on CO at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwS2 > 2.0*pwN) pwZ = pwS2; else pwZ = 2.0*pwN;
if ((pwS==0.0) && (pwS2>2.0*pwN)) pwZ1=pwS2-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwS = 180.0;
if ( pwS > 0 ) phshift = 130.0;
else phshift = 130.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("co");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (TROSY[A]=='y')
{txphase(two);
shiftedpulse("sinc", pwHs, 90.0, 0.0, two, 2.0e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
decphase(zero);
dec2phase(zero);
delay(timeTN - 0.5*kappa - WFG3_START_DELAY);
}
else
{txphase(zero);
shiftedpulse("sinc", pwHs, 90.0, 0.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(kappa - POWER_DELAY - PWRF_DELAY - pwHd - 4.0e-6 - PRG_START_DELAY);
/* delays for h1waltzon subtracted */
h1waltzon("WALTZ16", widthHd, 0.0);
decphase(zero);
dec2phase(zero);
delay(timeTN - kappa - WFG3_START_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0); /* pwS2 */
delay(timeNCA - timeTN - timeC);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
c13pulse("ca", "co", "sinc", 180.0, zero, 0.0, 0.0);
decphase(zero);
delay(timeNCA - timeC + 1.3*pwN);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0); /* pwS1 */
delay(timeC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); /* pwS2 */
delay(timeC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0); /* pwS1 */
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n') h1waltzoff("WALTZ16", widthHd, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
h1waltzon("WALTZ16", widthHd, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t3, 2.0e-6, 0.0); /* pwS1 */
decphase(zero);
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{
/* 2.0*pwS1/PI compensates for evolution at 64% rate during 90 */
if (tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - 0.5*pwZ - 2.0e-6
- 2.0*PWRF_DELAY - 2.0*POWER_DELAY > 0.0)
{
delay(tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - 0.5*pwZ - 2.0e-6 - 2.0*PWRF_DELAY - 2.0*POWER_DELAY);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(tau1 - 2.0*pwS1/PI - SAPS_DELAY - 0.5*pwZ - WFG_START_DELAY - 2.0e-6 - 2.0*PWRF_DELAY - 2.0*POWER_DELAY);
}
else
{
initval(180.0, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(2.0*tau1 - 4.0*pwS1/PI - SAPS_DELAY - WFG_START_DELAY - 2.0e-6 - PWRF_DELAY - POWER_DELAY);
}
/* delay(tau1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
delay(tau1);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);*/
}
else if (ni==1.0)
{
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1 + WFG_START_DELAY);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, pwS, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0);
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else
{
delay(10.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(10.0e-6);
/* delay(tau1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
delay(tau1);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0); */
}
decphase(t5);
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* pwS1 */
h1waltzoff("WALTZ16", widthHd, 0.0);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
set_c13offset("co");
/* xxxxxxxxxxxxxxxxxxxx N15 EVOLUTION & SE TRAIN xxxxxxxxxxxxxxxxxxxxxxx */
ihn_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B] == 'y') lk_sample();
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
spco180a[MAXSTR],
spco90b[MAXSTR],
spco180b[MAXSTR],
cadecseq[MAXSTR];
int phase, phase2, ni, ni2, icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
tauc, /* ~ 1/4JCAC' = 3.6 ms */
taud, /* ~ 1/4JC'CA = 4.3, 4.4 ms */
taue, /* 1/4JC'N = 12.4 ms */
tauf, /* 1/4JNH = 2.25 ms */
BigTC, /* carbon constant time period */
BigTN, /* nitrogen constant time period */
pwn, /* PW90 for 15N pulse */
pwca90a, /* PW90 for 13C at dvhpwr */
pwca180a, /* PW180 for 13C at dvhpwra */
pwco180a,
pwca180b, /* PW180 for ca nucleus @ dvhpwrb */
pwco180b,
pwco90b, /* PW90 for co nucleus @ dhpwrb */
tsatpwr, /* low level 1H trans.power for presat */
tpwrml, /* power level for h decoupling */
pwmlev, /* h 90 pulse at tpwrml */
dhpwr, /* power level for 13C pulses on dec1
90 for part a of the sequence at 43 ppm */
dvhpwra, /* power level for 180 13C pulses at 43 ppm */
dhpwrb, /* power level for 13C pulses on dec1 - 54 ppm
90 for part b of the sequence*/
dvhpwrb, /* power level for 13C pulses on dec1 - 54 ppm
180 for part b of the sequence */
dhpwr2, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
dofcacb, /* dof for dipsi part, 43 ppm */
pwcadec, /* seduce ca decoupling at dpwrsed */
dpwrsed, /* power level for seduce ca decoupling */
dressed, /* resoln for seduce decoupling = 2 */
dhpwrcoa, /* power level for pwco180a, 180 shaped C' */
sphase1, /* phase shift for off resonance C' 180 */
pwN, pwNlvl, /* N-15 RF calibration parameters */
pwC, compC, pwClvl, /* C-13 RF calibration parameters */
compH,waltzB1,
BigT1,
gt1,
gt2,
gt4,
gt5,
gt6,
gt7,
gt9,
gt10,
gstab,
gzlvl1,
gzlvl2,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl9,
gzlvl10;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
taua = getval("taua");
tauc = getval("tauc");
taud = getval("taud");
taue = getval("taue");
tauf = getval("tauf");
BigTC = getval("BigTC");
BigTN = getval("BigTN");
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwn = getval("pwn");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
tpwrml = getval("tpwrml");
dpwr = getval("dpwr");
dhpwr2 = getval("dhpwr2");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
dofcacb = getval("dofcacb");
ni = getval("ni");
ni2 = getval("ni2");
BigT1 = getval("BigT1");
sphase1 = getval("sphase1");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt9 = getval("gt9");
gt10 = getval("gt10");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
if(autocal[0]=='n')
{
getstr("spco180a",spco180a);
getstr("spco90b",spco90b);
getstr("spco180b",spco180b);
getstr("cadecseq",cadecseq);
pwca90a = getval("pwca90a");
pwca180a = getval("pwca180a");
pwco180a = getval("pwco180a");
pwca180b = getval("pwca180b");
pwco90b = getval("pwco90b");
pwco180b = getval("pwco180b");
dhpwr = getval("dhpwr");
dvhpwra = getval("dvhpwra");
dhpwrb = getval("dhpwrb");
dvhpwrb = getval("dvhpwrb");
dhpwrcoa = getval("dhpwrcoa");
dpwrsed = getval("dpwrsed");
dressed = getval("dressed");
pwcadec = getval("pwcadec");
pwmlev = getval("pwmlev");
}
else
{
waltzB1=getval("waltzB1");
pwmlev=1/(4.0*waltzB1);
compH = getval("compH");
tpwrml= tpwr - 20.0*log10(pwmlev/(compH*pw));
tpwrml= (int) (tpwrml + 0.5);
strcpy(spco180a,"Psed180_133p");
strcpy(spco90b,"Phard90co_118p");
strcpy(spco180b,"Phard180co_118p");
strcpy(cadecseq,"Pseduce1_lek");
if (FIRST_FID)
{
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
compC = getval("compC");
ca90 = pbox("cal", CA90, "", dfrq, compC*pwC, pwClvl);
ca180 = pbox("cal", CA180, "", dfrq, compC*pwC, pwClvl);
co180 = pbox(spco180a, CO180, CO180ps, dfrq, compC*pwC, pwClvl);
co90b = pbox(spco90b, CO90b, CA180ps, dfrq, compC*pwC, pwClvl);
co180b = pbox(spco180b, CO180b, CA180ps, dfrq, compC*pwC, pwClvl);
ca180b = pbox("cal", CA180b, "", dfrq, compC*pwC, pwClvl);
cadec = pbox(cadecseq, CADEC, CADECps, dfrq, compC*pwC, pwClvl);
w16 = pbox_dec("cal", "WALTZ16", tpwrml, sfrq, compH*pw, tpwr);
}
pwca90a = ca90.pw; dhpwr = ca90.pwr;
pwca180a = ca180.pw; dvhpwra = ca180.pwr;
pwco180a = co180.pw; dhpwrcoa = co180.pwr;
pwco90b = co90b.pw; dhpwrb = co90b.pwr;
pwco180b = co180b.pw;
pwca180b = ca180b.pw; dvhpwrb = ca180b.pwr;
pwcadec = 1.0/cadec.dmf; dpwrsed = cadec.pwr; dressed = cadec.dres;
pwmlev = 1.0/w16.dmf;
pwn=pwN; dhpwr2=pwNlvl;
}
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t7,1,phi7);
settable(t8,1,phi8);
settable(t9,8,phi9);
settable(t10,8,rec);
settable(t11,1,phi11);
settable(t12,1,phi12);
settable(t13,1,phi13);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( 0.5*ni*1/(sw1) > BigTC - gt10 )
{
printf(" ni is too big\n");
psg_abort(1);
}
if( ni2*1/(sw2) > 2.0*BigTN )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( pwmlev < 30.0e-6 )
{
printf("too much power during proton mlev sequence\n");
psg_abort(1);
}
if( tpwrml > 53 )
{
printf("tpwrml is too high\n");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dhpwr > 62 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( dhpwrb > 62 )
{
printf("don't fry the probe, DHPWRB too large! ");
psg_abort(1);
}
if( dvhpwrb > 62 ) /* pwr level for dipsi */
{
printf("don't fry the probe, DVHPWRB too large! ");
psg_abort(1);
}
if( dhpwr2 > 62 )
{
printf("don't fry the probe, DHPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwmlev > 200.0e-6 )
{
printf("dont fry the probe, pwmlev too high ! ");
psg_abort(1);
}
if( pwn > 200.0e-6 )
{
printf("dont fry the probe, pwn too high ! ");
psg_abort(1);
}
if( pwcadec > 500.0e-6 || pwcadec < 200.0e-6 )
{
printf("pwcadec outside reasonable limits: < 500e-6 > 200e-6 \n");
psg_abort(1);
}
if( dpwrsed > 45 )
{
printf("dpwrsed is too high\n");
psg_abort(1);
}
if( gt1 > 15e-3 || gt2 > 15e-3 || gt4 >=15e-3 || gt5 > 15e-3 || gt6 >= 15e-3 || gt7 >= 15e-3 || gt9 >= 15e-3 || gt10 >= 15e-3)
{
printf("all gti values must be < 15e-3\n");
psg_abort(1);
}
if(gt10 > 250.0e-6) {
printf("gt10 must be 250e-6\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t3,1,4);
if (phase2 == 2) {
tsadd(t11,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t3,2,4);
tsadd(t10,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t10,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dofcacb); /* initially pulse at 43 ppm */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dhpwr2); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[A] == 'y')
{
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
delay(2.0e-5);
rgpulse(d1,zero,rof1,rof1);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[A] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(d1);
txphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on H and not 13C */
decrgpulse(pwca90a,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
decphase(t1);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(2.0e-6);
decpower(dvhpwra);
delay(taua - POWER_DELAY - gt2 - 2.2e-6); /* taua <= 1/4JCH */
simpulse(2*pw,pwca180a,zero,t1,0.0,0.0);
decpower(dhpwr);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(2.0e-6);
txphase(t2); decphase(t3);
delay(taua - POWER_DELAY - gt2 - 2.2e-6);
rgpulse(pw,t2,0.0,0.0);
decrgpulse(pwca90a,t3,2.0e-6,0.0);
delay(2.0e-6);
delay(tau1);
decpower(dhpwrcoa);
decshaped_pulse(spco180a,pwco180a,zero,4.0e-6,0.0);
dec2rgpulse(2*pwn,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(2.0e-6);
decpower(dvhpwra);
delay(0.80e-3 - gt10 - 4.0e-6 - 2*POWER_DELAY);
delay(0.2e-6);
rgpulse(2*pw,zero,0.0,0.0);
decphase(t4);
initval(1.0,v3);
decstepsize(0.0);
dcplrphase(v3);
delay(BigTC - 0.80e-3);
decrgpulse(pwca180a,t4,0.0,0.0);
dcplrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(2.0e-6);
delay(BigTC - tau1 + 2*pwn + 2*pw - 2*POWER_DELAY - gt10 - 4.0e-6);
delay(0.2e-6);
decpower(dhpwrcoa);
decshaped_pulse(spco180a,pwco180a,zero,4.0e-6,0.0); /* bloch seigert */
decpower(dhpwr);
decrgpulse(pwca90a,zero,2.0e-6,0.0);
txphase(one); delay(2.0e-6);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* H decoupling on */
decpower(dhpwrcoa);
decshaped_pulse(spco180a,pwco180a,zero,4.0e-6,0.0); /* bloch seigert */
decphase(t5);
initval(1.0,v3);
decstepsize(0.0);
dcplrphase(v3);
delay(tauc - 3*POWER_DELAY - PRG_START_DELAY);
decpower(dvhpwra);
decrgpulse(pwca180a,t5,0.0,0.0);
dcplrphase(zero);
decpower(dhpwrcoa);
decshaped_pulse(spco180a,pwco180a,zero,4.0e-6,0.0);
decphase(zero);
decpower(dhpwr);
delay(tauc - 2*POWER_DELAY);
decrgpulse(pwca90a,zero,0.0,0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
/* H decoupling off */
rgpulse(pwmlev,two,2.0e-6,0.0);
delay(0.2e-6);
decoffset(dof);
decpower(dhpwrb);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
rgpulse(pwmlev,zero,2.0e-6,0.0);
txphase(one); delay(2.0e-6);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron();
/* H decoupling on */
decphase(t6);
delay(2.0e-6);
decshaped_pulse(spco90b,pwco90b,t6,0.0,0.0);
decphase(zero);
delay(taud - POWER_DELAY - 4.0e-6);
decpower(dvhpwrb);
decrgpulse(pwca180b,zero,4.0e-6,0.0);
decpower(dhpwrb);
delay(taue - taud - POWER_DELAY + 2*pwn);
/* adjust phase */
initval(1.0,v2);
decstepsize(sphase1);
dcplrphase(v2);
/* adjust phase */
decshaped_pulse(spco180b,pwco180b,zero,0.0,0.0);
dcplrphase(zero);
dec2rgpulse(2*pwn,zero,0.0,0.0);
delay(taue - 2*POWER_DELAY - 4.0e-6 - 4.0e-6);
decpower(dvhpwrb);
decrgpulse(pwca180b,zero,4.0e-6,0.0); /* bloch seigert */
decpower(dhpwrb);
decshaped_pulse(spco90b,pwco90b,t7,4.0e-6,0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
/* H decoupling off */
rgpulse(pwmlev,two,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
rgpulse(pwmlev,zero,2.0e-6,0.0);
txphase(one); delay(2.0e-6);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron();
/* H decoupling on */
dec2rgpulse(pwn,t8,2.0e-6,0.0);
dec2phase(t9); decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(cadecseq,pwcadec,dressed);
decon();
/* seduce on */
delay(BigTN - tau2 + WFG_START_DELAY + WFG_STOP_DELAY + pwco180b);
/* seduce off */
decoff();
decprgoff();
decpower(dhpwrb);
/* seduce off */
dec2rgpulse(2*pwn,t9,0.0,0.0);
decshaped_pulse(spco180b,pwco180b,zero,0.0,0.0);
dec2phase(t11);
/* seduce on */
decpower(dpwrsed);
decprgon(cadecseq,pwcadec,dressed);
decon();
/* seduce on */
delay(BigTN + tau2 - 5.5e-3 - POWER_DELAY - PRG_STOP_DELAY - pwmlev - 2.0e-6);
/* H decoupling off */
xmtroff();
obsprgoff();
/* H decoupling off */
rgpulse(pwmlev,two,2.0e-6,0.0);
obspower(tpwr);
delay(2.5e-3);
/* seduce off */
decoff();
decprgoff();
decpower(dhpwrb);
/* seduce off */
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
txphase(zero);
dec2phase(t11);
delay(3.0e-3 - gt1 - 2.2e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(pw,0.0,pwn,zero,zero,t11,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwn,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(t12);
dec2phase(t13);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(pw,0.0,pwn,t12,zero,t13,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwn,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
delay(tauf - gt7 - 2.2e-6);
rgpulse(pw,zero,0.0,0.0);
txphase(zero);
delay(BigT1);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt1/10);
delay(2.0e-6);
delay(BigT1 - gt1/10 - POWER_DELAY - 4.0e-6 - 2*GRADIENT_DELAY);
dec2power(dpwr2); /* set power for 15N decoupling */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t10);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f2180[MAXSTR],
cbdec[MAXSTR],
cbdecseq[MAXSTR]; /* shape for selective CB inversion */
int t1_counter, t2_counter,
ni = getval("ni"), ni2 = getval("ni2");
double
d2_init=0.0, d3_init=0.0,
tau1, tau2, tau3, /* t1,t2,t3 delay */
t1a, t1b, t1c, sheila_1,
t2a, t2b, t2c, sheila_2,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
tauCH_1,
timeTN = getval("timeTN"), /* ~ 12 ms for N evolution and 1JNCa transfer */
epsilon = 1.05e-3, /* 0.7*1/4J delay for CHn */
epsilon_1,
tauCaCO = getval("tauCaCO"), /* 1/4J delay for CaCO, 4.5ms */
tauNCO = getval("tauNCO"), /* 1/4J delay for NCO, 17.0ms */
Hali_offset = getval("Hali_offset"),
cbpwr, /* power level for selective CB inversion */
cbdmf, /* pulse width for selective CB inversion */
cbres,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
dpwr2 = getval("dpwr2"), /* power for N15 decoupling */
swH = getval("swH"), swC = getval("swC"), swTilt,
angle_H = getval("angle_H"), angle_C, cos_H, cos_C,
pwCa90,
pwCa180, /* length of square 180 on Ca */
pwCO90,
pwCO180, /* length of sinc 180 on CO */
pwZ,
phi7cal = getval("phi7cal"), /* small phase correction for 90 CO pulse */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 decoupling on Cab */
waltzB1 = getval("waltzB1"), /* H1 decoupling strength in Hz for DIPSI-2 */
sw1 = getval("sw1"), sw2 = getval("sw2"),
gstab= getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9");
getstr("f2180",f2180);
widthHd = 2.069*(waltzB1/sfrq); /* produces same B1 as gc_co_nh.c */
cbpwr = getval("cbpwr"); cbdmf = getval("cbdmf"); cbres = getval("cbres");
getstr("cbdecseq", cbdecseq); getstr("cbdec", cbdec);
/* LOAD PHASE TABLE */
settable(t2,1,phx); settable(t3,2,phi3); settable(t4,1,phx);
settable(t8,1,phx); settable(t9,8,phi9); settable(t10,1,phx);
settable(t11,1,phy); settable(t12,4,rec);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3; lambda = 2.4e-3;
/* get calculated pulse lengths of shaped C13 pulses */
pwCa90 = c13pulsepw("ca", "co", "square", 90.0);
pwCa180 = c13pulsepw("ca", "co", "square", 180.0);
pwCO90 = c13pulsepw("co", "ca", "sinc", 90.0);
pwCO180 = c13pulsepw("co", "ca", "sinc", 180.0);
/* pwZ: the bigger of pwN*2.0 and pwCa180 */
if (pwN*2.0 > pwCa180) pwZ=pwN*2.0; else pwZ=pwCa180;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq"); psg_abort(1);}
/**********************************************************************/
/* Calculate t1_counter from sw1 as a generic control of the sequence */
/* Make sure sw1 is not zero */
/**********************************************************************/
angle_C = 90.0 - angle_H;
if ( (angle_H < 0) || (angle_H > 90) )
{ printf ("angle_H must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( sw1 < 1.0 )
{ printf ("Please set sw1 to a non-zero value.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180);
cos_C = cos (PI*angle_C/180);
swTilt = swH * cos_H + swC * cos_C;
if (ix ==1)
{
printf("\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("PR(4,3)D intra_cbd_hccnh\n");
printf ("Set ni2=1, phase=1,2,3,4 and phase2=1,2 \n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_H:\t%6.2f degree \t\tAngle_C:\t%f degree\n", angle_H, angle_C);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t2, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t3, 1, 4); } /* CS */
else if (phase1 == 4) { tsadd(t2, 1, 4); tsadd(t3,1,4); } /* SS */
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t12,2,4); }
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0;
if (ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if (t2_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
/* Set up f2180 */
tau3 = d3;
if ((f2180[A] == 'y') && (ni2 > 1.0))
{ tau3 += ( 1.0 / (2.0*sw2) ); if(tau3 < 0.2e-6) tau3 = 0.0; }
tau3 = tau3/2.0;
/* Hyperbolic sheila_1 seems superior */
tauCH_1 = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*swTilt/cos_H) > 2.0*tauCH_1)
{
if (tau1 > 2.0*tauCH_1) sheila_1 = tauCH_1;
else if (tau1 > 0) sheila_1 = 1.0/(1.0/tau1+1.0/tauCH_1 - 1.0/(2.0*tauCH_1));
else sheila_1 = 0.0;
}
else
{
if (tau1 > 0) sheila_1 = 1.0/(1.0/tau1 + 1.0/tauCH_1 - 2.0*swTilt/cos_H/((double)(ni-1)));
else sheila_1 = 0.0;
}
/* The following check fixes the phase distortion of certain tilts */
if (sheila_1 > tau1) sheila_1 = tau1;
if (sheila_1 > tauCH_1) sheila_1 =tauCH_1;
t1a = tau1 + tauCH_1;
t1b = tau1 - sheila_1;
t1c = tauCH_1 - sheila_1;
/* subtract unavoidable delays from epsilon */
epsilon_1 = epsilon - pwCO180 - WFG_START_DELAY - 4.0e-6 - POWER_DELAY
- PWRF_DELAY - gt5 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*swTilt/cos_C) > 2.0*epsilon_1)
{
if (tau2 > 2.0*epsilon_1) sheila_2 = epsilon_1;
else if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2+1.0/epsilon_1 - 1.0/(2.0*epsilon_1));
else sheila_2 = 0.0;
}
else
{
if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2 + 1.0/epsilon_1 - 2.0*swTilt/cos_C/((double)(ni-1)));
else sheila_2 = 0.0;
}
/* The following check fixes the phase distortion of certain tilts */
if (sheila_2 > tau2) sheila_2 = tau2;
if (sheila_2 > epsilon_1) sheila_2 = epsilon_1;
t2a = tau2;
t2b = tau2 - sheila_2;
t2c = epsilon_1 - sheila_2;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tof - Hali_offset); obspower(tpwr); obspwrf(4095.0);
set_c13offset("gly"); decpower(pwClvl); decpwrf(4095.0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
txphase(t2); delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
delay(gstab);
rgpulse(pw, t2, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
txphase(one);
delay(gstab);
delay(t1c);
/* point b */
rgpulse(pw, one, 0.0, 0.0);
obsoffset(tof);
zgradpulse(gzlvl4, gt4);
decphase(t3);
delay(gstab);
decrgpulse(pwC, t3, 0.0, 0.0);
decphase(zero);
delay(t2a);
/* WFG_START_DELAY+POWER_DELAY+PWRF_DELAY */
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(epsilon_1 - 2.0*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(t2b);
c13pulse("gly", "co", "square", 180.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t2c);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
delay(2.0*pwC/PI); /* Compensation for pwC */
delay(WFG_START_DELAY+PWRF_DELAY + POWER_DELAY);
decrgpulse(0.5e-3, zero, 2.0e-6, 0.0); /* 0.5 ms trim(X) pulse */
c13decouple("gly", "DIPSI3", 120.0, ncyc); /* PRG_STOP_DELAY */
/* ========= Begin Ca(i)x --> Ca(i)zN(i)z ================*/
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6 - PRG_START_DELAY
- 2*PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY );
decoff();
decprgoff();
}
else
{ delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6
- PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY );
}
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 2.0e-6);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- WFG_START_DELAY - WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);
decoff();
decprgoff();
}
else
{
zgradpulse(gzlvl6, gt6);
delay(gstab);
delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
- gt6 - gstab - 2.0*GRADIENT_DELAY - WFG_START_DELAY
- WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- 2*WFG_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);
decoff();
decprgoff();
}
else
{
zgradpulse(gzlvl6, gt6);
delay(gstab);
delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
- gt6 - gstab - 2.0*GRADIENT_DELAY - 2*WFG_START_DELAY
- 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6); /* BSP */
initval(phi7cal, v7); decstepsize(1.0);
decphase(one); dcplrphase(v7); /* SAPS_DELAY */
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 2.0e-6);
dcplrphase(zero);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
decoff();
decprgoff();
}
else
{ delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
- WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
}
decphase(one);
c13pulse("ca", "co", "square", 90.0, one, 2.0e-6, 2.0e-6);
/* ========= End Ca(i)x --> Ca(i)zN(i)z ================*/
zgradpulse(gzlvl7, gt7);
delay(gstab);
h1decon("DIPSI2", widthHd, 0.0);
/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
/* xxxxxxxxxxxx TRIPLE RESONANCE NH EVOLUTION & SE TRAIN xxxxxxxxxxxx */
dec2rgpulse(pwN, t8, 2.0e-6, 2.0e-6);
decphase(zero); dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau3);
/* WFG3_START_DELAY */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
dec2phase(t10);
if (tau3 > kappa + PRG_STOP_DELAY)
{
delay(timeTN - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > (kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero); /* WFG_START_DELAY + 2.0*POWER_DELAY */
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1
- 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3);
}
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(lambda - 1.3*pwN - gt8);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(t11);
delay(lambda - 1.3*pwN - gt8);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(lambda - 1.3*pwN - gt9);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl9, gt9);
delay(lambda - 0.65*(pw + pwN) - gt9);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 - 0.3*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
delay(1.0e-4);
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
statusdelay(C, gstab);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
t1a, /* time increments for first dimension */
t1b,
t1c,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
epsilon = 1.05e-3, /* other delays */
zeta = 3.0e-3,
eta = 4.6e-3,
theta = 14.0e-3,
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
widthHd,
pwS1, /* length of square 90 on Cab */
pwS2, /* length of square 180 on Ca */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 decoupling on Cab */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
waltzB1 = getval("waltzB1"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("TROSY",TROSY);
widthHd=2.069*(waltzB1/sfrq); /* produces same field as std. sequence */
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
kappa = 5.4e-3;
lambda = 2.4e-3;
if( pwC > 24.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( gt4 > epsilon - 0.6*pwC)
{ printf(" gt4 is too big. Make gt4 equal to %f or less.\n",
(epsilon - 0.6*pwC)); psg_abort(1);}
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt0 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
set_c13offset("cab");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(three);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gzlvl0=0.0; gzlvl3=0.0; gzlvl4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, three, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(5.0e-5);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, zero, 0.0, 0.0);
/* point c */
zgradpulse(gzlvl4, gt4);
delay(epsilon - gt4 - 0.6*pwC);
/* WFG2_START_DELAY */
sim_c13pulse("", "cab", "co", "square", 2.0*pw, 180.0,
zero, zero, 2.0e-6, 2.0e-6);
delay(WFG2_START_DELAY);
zgradpulse(gzlvl4, gt4);
delay(epsilon - gt4);
/* point d */
decrgpulse(0.5e-3, zero, 0.0, 0.0);
c13decouple("cab", "DIPSI3", 2.0*spinlock/dfrq, ncyc); /* PRG_STOP_DELAY */
/* point e */
h1decon("DIPSI2", widthHd, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
decphase(t5);
delay(zeta - PRG_STOP_DELAY - PRG_START_DELAY - POWER_DELAY -
PWRF_DELAY - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, t5, 0.0, 0.0); /* Shaka composite */
decrgpulse(pwC*145.5/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, t6, 0.0, 0.0);
decphase(zero);
delay(zeta - 0.5*10.933*pwC - 0.6*pwS1 - WFG_START_DELAY - 2.0e-6);
/* WFG_START_DELAY */
c13pulse("cab", "co", "square", 90.0, zero, 2.0e-6, 0.0); /* point f */
decphase(t5);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
gzlvl0=getval("gzlvl0");
gzlvl3=getval("gzlvl3");
gzlvl4=getval("gzlvl4");
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);
/* point g */
decphase(zero);
delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
/* 2*POWER_DELAY+2*PWRF_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /* pwS2 */
dec2phase(zero);
delay(theta - eta - pwS2 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
/* point h */
nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
codecseq[MAXSTR],
ddseq[MAXSTR],
shca180[MAXSTR],
shca90[MAXSTR];
int phase, ni,
t1_counter, /* used for states tppi in t1 */
tau2;
double tau1, /* t1 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
taub, /* ~ 1/2JCH for AX spin systems */
taud, /* ~ 1/4JCD 12.5 ms for AX spin system */
TC, /* carbon constant time period 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
time_T2, /* total relaxation time for T2 measurement */
pwcodec, /* pw90 for C' decoupling */
dressed, /* = 2 for seduce-1 decoupling */
dpwrsed,
pwd, /* pulse width for D decoupling at dpwr3_D */
dresD,
dpwr3_D,
lk_wait, /* delay for lk receiver recovery */
pwd1, /* pulse width for D +/- pulses at dpwr3 */
d_ca180,
pwca180,
pwca90, /* ca selective pulse at 57.5 ppm */
d_ca90, /* power level for pwca90 */
dpwr3_sl, /* D power level for spin locking */
pwd_sl, /* pw for D at dpwr3_sl */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab=getval("gstab"),
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("codecseq",codecseq);
getstr("ddseq",ddseq);
getstr("shca180",shca180);
getstr("shca90",shca90);
taua = getval("taua");
taub = getval("taub");
taud = getval("taud");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
pwcodec = getval("pwcodec");
dressed = getval("dressed");
dpwrsed = getval("dpwrsed");
pwd = getval("pwd");
dresD = getval("dresD");
dpwr3_D = getval("dpwr3_D");
lk_wait = getval("lk_wait");
pwd1 = getval("pwd1");
d_ca180 = getval("d_ca180");
pwca180 = getval("pwca180");
pwca90 = getval("pwca90");
d_ca90 = getval("d_ca90");
dpwr3_sl = getval("dpwr3_sl");
pwd_sl = getval("pwd_sl");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
/* LOAD PHASE TABLE */
settable(t1,16,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,4,phi4);
settable(t6,4,phi6);
settable(t7,8,phi7);
settable(t5,16,rec_d);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( TC - 0.50*(ni-1)*1/(sw1) - WFG_STOP_DELAY
- gt6 - 102e-6 - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY
- 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY - PRG_STOP_DELAY
- 2.0e-6 - POWER_DELAY - 2.0e-6
< 0.2e-6 )
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3
|| gt8 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if(dpwr3_D > 54)
{
printf("D decoupling power is too high\n");
psg_abort(1);
}
if(lk_wait > .015 )
{
printf("lk_wait delay may be too long\n");
psg_abort(1);
}
/* change back to 48 */
if(dpwr3_sl > 53) {
printf("dpwr3_sl is too large; must be less than 53\n");
psg_abort(1);
}
/* change back to 250 */
if(pwd_sl < 170.0e-6) {
printf("pwd_sl is too large; Must be larger than 170 us\n");
psg_abort(1);
}
/* Calculation of IzCzDz relaxation delay */
tau2 = (int) (d3+0.1);
time_T2 = z_array[tau2];
if(time_T2 > 0.030) {
printf("time_T2 is too long; Must be less than 30 ms\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t7,1,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t7,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
/* Prepare for signs of gradients 0 1 0 1 0 1 */
mod2(ct,v1);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
txphase(one); decphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
decrgpulse(pwc,t1,2.0e-6,0.0);
decphase(zero);
delay(taub - 2.0*pw - 2.0e-6);
rgpulse(pw,zero,0.0,0.0);
rgpulse(pw,t2,2.0e-6,0.0);
delay(TC - taub
- gt4 - 102e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
initval(1.0,v3);
decstepsize(353.0);
dcplrphase(v3);
decpower(d_ca180);
decshaped_pulse(shca180,pwca180,zero,4.0e-6,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud - WFG_STOP_DELAY - gt4 - 102e-6
- POWER_DELAY - 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
decphase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
delay(taud - PRG_STOP_DELAY -POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- WFG_START_DELAY - pwca90 - 4.0e-6
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decpower(d_ca90);
decshaped_pulse(shca90,pwca90,t3,4.0e-6,0.0);
decpower(dhpwr);
decrgpulse(pwc,one,4.0e-6,0.0);
/* T2 period */
dec3power(dpwr3);
dec3rgpulse(pwd1,t4,2.0e-6,0.0);
dec3phase(one);
dec3power(dpwr3_sl);
dec3rgpulse(time_T2,one,2.0e-6,2.0e-7);
dec3phase(zero);
dec3power(dpwr3);
dec3rgpulse(pwd1,zero,2.0e-6,0.0);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl5,gt5);
delay(gstab);
endif(v1);
decphase(zero);
decrgpulse(pwc,t7,4.0e-6,0.0);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
if(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6 >= tau1) {
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6
- tau1);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud + tau1 - POWER_DELAY
- PRG_START_DELAY - 2.0*pw
- POWER_DELAY - pwd1 - 4.0e-6 - POWER_DELAY - PRG_START_DELAY
- 3.0*POWER_DELAY - 2.0*PRG_START_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY
- POWER_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
else {
delay(taud);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(tau1 - taud - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY - PRG_START_DELAY);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(TC
- 2.0*pw - PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- PRG_STOP_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
initval(1.0,v4);
decstepsize(353.0);
dcplrphase(v4);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - tau1 - WFG_STOP_DELAY - gt6
- 102e-6 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6);
/* C' decoupling off */
decoff();
decprgoff();
decpower(dhpwr);
/* C' decoupling off */
decrgpulse(pwc,one,4.0e-6,0.0);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl7,gt7);
delay(gstab);
endif(v1);
delay(lk_wait); /* delay for lk receiver recovery */
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
decphase(zero);
delay(taua - gt8 - 4.0e-6);
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
delay(taua - 2*POWER_DELAY - gt8 - 4.0e-6);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,rof2);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char cbdecseq[MAXSTR]; /* selective CB decoupling */
int t1_counter, /* used for states tppi in t1 */
ni = getval("ni");
double d2_init=0.0, /* used for states tppi in t1 */
tau1, /* Ha, J active for 1/4 of the time */
t1a, /* time increments for first dimension */
t1b,
t1c,
tau2, /* Ca */
tau3, /* CO */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
zeta = 4.7e-3, /* 1/4J delay for C-CO' */
theta = 14.0e-3, /* 1/4J delay for N-CO' */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwCa180,
pwCO180,
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
swHa = getval("swHa"),
swCa = getval("swCa"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_Ca, cos_Ha,
angle_N, angle_Ca, angle_Ha, /* angle_N is calculated automatically */
gstab = getval("gstab"),
gt1 = getval("gt1"),
gt5 = getval("gt5"),
gt3 = getval("gt3"),
gt4= getval("gt4"),
gt8= getval("gt8"),
gt6=getval("gt6"),
gt7=getval("gt7"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl3 = getval("gzlvl3"),
gzlvl4= getval("gzlvl4"),
gzlvl8= getval("gzlvl8"),
gzlvl7= getval("gzlvl7");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_Ca = 0;
cos_Ha = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t8,1,phx);
settable(t9,4,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
lambda = 2.4e-3;
/* get calculated pulse lengths of shaped C13 pulses */
pwCa180=c13pulsepw("ca", "co", "square", 180.0);
pwCO180=c13pulsepw("co", "ca", "sinc", 180.0);
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_Ha=getval("angle_Ha"); cos_Ha=cos(PI*angle_Ha/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_Ha < 0) || (angle_Ha > 90) )
{ printf ("angle_Ha must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_Ha*cos_Ha + cos_Ca*cos_Ca) )
{
angle_N = 0.0;
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_Ha*cos_Ha + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swHa*cos_Ha + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_Ha:\t%6.2f\n", angle_Ha);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t3,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t4,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t3,1,4); tsadd(t4,1,4);} /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ha/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);}
if ( 0.5*0.25*ni*(cos_Ha/swTilt) > tauCH - 2*pwC - 2.0e-6 - gt3)
{
printf(" ni is too big for Ha. Make ni equal to %d or less.\n",
(int) ((tauCH - 2*pwC - 2.0e-6 - gt3)/(0.5*0.25*cos_Ha/swTilt)) );
psg_abort(1);
}
if (0.5*ni*(cos_Ca/swTilt) > zeta - gt8 - pwCa180/2
-pwCO180 - WFG2_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((zeta - gt8 - pwCa180/2 - pwCO180 - WFG2_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)/(0.5*cos_Ca/swTilt)));
psg_abort(1);
}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;
if (angle_Ca == 90.0)
{
sheila = 0.0;
}
else
{
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("ca");
obspower(tpwr);
obspwrf(4095.0);
obsoffset(tof); /* tof set to water */
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
status(B);
rgpulse(pw, three, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(gstab);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
txphase(zero); decphase(t4);
/* -----------HzCz---------- */
zgradpulse(gzlvl4, gt4); /* Crush graidient G12*/
delay(gstab);
/* end of HzCz */
c13pulse("ca", "co", "square", 90.0, t4, 2.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(tau2);
dec2rgpulse(2*pwN, zero, 2.0e-6, 2.0e-6);
decoff();
decprgoff();
zgradpulse(gzlvl8, gt8);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(tauCH- gt8 - pw - 2*pwN - 6.0e-6);
rgpulse(2.0*pw, zero, 2.0e-6, 0.0);
delay(zeta - tauCH -pw - pwCO180 - pwCa180/2 - 2.0*WFG_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6);
decoff();
decprgoff();
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl8, gt8); /* 2.0*GRADIENT_DELAY */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(zeta - gt8 - pwCa180/2 - pwCO180 - 2.0*WFG_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6 - tau2); /* const-time */
decoff();
decprgoff();
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);
/* ---------CazCOz----------- */
set_c13offset("co");
zgradpulse(gzlvl6, gt6); /* Crush gradient G14 */
delay(gstab);
h1decon("DIPSI2", 27.0, 0.0);
decphase(t5);
/* ------- CazCOz ------------*/
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);
decphase(zero);
delay(zeta - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY - pwCa180/2 - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
dec2phase(zero);
delay(theta - zeta - pwCa180/2 - WFG_START_DELAY - pwCO180/2
- 2.0*POWER_DELAY - 2.0*PWRF_DELAY - 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7);
dec2phase(t8);
delay(theta - SAPS_DELAY - WFG_START_DELAY - pwCO180/2 - 4.0e-6
- 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/* -----------CzNz----------- */
dcplrphase(zero);
h1decoff();
zgradpulse(gzlvl7, gt7);
delay(gstab);
h1decon("DIPSI2", 27.0, 0.0);
/* -------------CzNz---------- */
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau3);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
dec2phase(t10);
if (tau3 > kappa + PRG_STOP_DELAY)
{
delay(timeTN - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > (kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero); /* WFG_START_DELAY + 2.0*POWER_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1
- 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3);
}
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
{delay(lambda - 0.65*(pw + pwN) - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + gstab - 0.3*pw + 2.0*GRADIENT_DELAY
+ POWER_DELAY); }
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
setreceiver(t12);
statusdelay(C, gstab);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
f3180[MAXSTR], /* Flag to start t3 @ halfdwell */
fc180[MAXSTR], /* Flag for checking sequence */
spca180[MAXSTR], /* string for the waveform Ca 180 */
spco180[MAXSTR], /* string for the waveform Co 180 */
spcareb[MAXSTR], /* string for the waveform reburp 180 */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCT[MAXSTR], /* Flag for constant time Ca evolution */
shp_sl[MAXSTR], /* string for seduce shape */
sel_flg[MAXSTR];
int phase, phase2, phase3, ni2, ni3, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
t3_counter; /* used for states tppi in t3 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for co nucleus @ d_c90 */
pwc180on, /* PW180 at @ d_c180 */
pwcareb, /* PW90 for co nucleus @ d_creb */
pwc180off, /* PW180 at d_c180 + pad */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90 = sqrt(15)/4delta)
delta is the separation between Ca and Co */
d_c180, /* power level for 180 13C pulses
(pwc180on=sqrt(3)/2delta */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sw3, /* sweep width in f3 */
pw_sl, /* pw90 for H selective pulse on water ~ 2ms */
phase_sl, /* phase for pw_sl */
tpwrsl, /* power level for square pw_sl */
d_creb,
pwDlvl, /* power for D flank pulse */
pwD, /* pw90 at pwDlvl */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
compC, /* C-13 RF calibration parameters */
pwC,
pwClvl,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab, /* delay to compensate for gradient gt5 */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("fc180",fc180);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCT",fCT);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
phase3 = (int) ( getval("phase3") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
ni2 = getval("ni2");
ni3 = getval("ni3");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
tpwrsl = getval("tpwrsl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
if(autocal[0]=='n')
{
getstr("spca180",spca180);
getstr("spco180",spco180);
getstr("spcareb",spcareb);
pwc180off = getval("pwc180off");
pwc90 = getval("pwc90");
pwc180on = getval("pwc180on");
pwcareb = getval("pwcareb");
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
d_creb = getval("d_creb");
}
else
{
strcpy(spca180,"Phard_-118p");
strcpy(spco180,"Phard_118p");
strcpy(spcareb,"PrebCa_on");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
ca180reb = pbox(spcareb, CA180reb, CA180ps, dfrq, compC*pwC, pwClvl);
c180 = pbox("Phard180", C180, CO180ps, dfrq, compC*pwC, pwClvl);
co180 = pbox(spco180, CO180, CO180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(spca180, CA180, CO180ps, dfrq, compC*pwC, pwClvl);
c90 = pbox("Phard90", C90, CO180ps, dfrq, compC*pwC, pwClvl);
}
pwc180off = co180.pw;
pwc90 = c90.pw;
pwc180on = c180.pw;
pwcareb = ca180reb.pw;
d_c90 = c90.pwr;
d_c180 = c180.pwr;
d_creb = ca180reb.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( bigTN - (ni3-1)*0.5/sw3 + pwc180on < 0.2e-6 )
{
text_error(" ni3 is too big\n");
text_error(" please make ni3 equal or smaller than %d \n",
(int) (((bigTN +pwc180on)*sw3/0.5)+1.0) );
psg_abort(1);
}
if (fCT[A]=='y')
{
if(bigTCa - 0.5*(ni2-1)/sw2 - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6)
{
text_error(" ni2 is too big\n");
text_error(" please make ni2 equal or smaller than %d \n",
(int) (((bigTCa -WFG_STOP_DELAY -POWER_DELAY -gt11 -50.2e-6)*sw2/0.5)+1.0) );
psg_abort(1);
}
}
else
{
if ((ni2-1)/sw2>12.0e-3)
{
text_error(" ni2 is too big\n");
text_error(" please make ni2 equal or smaller than %d \n",
(int) ((6.0e-3*sw2) +1.0) );
psg_abort(1);
}
}
if (bigTCo - 0.5*(ni-1)/sw1 - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
text_error(" ni is too big\n");
text_error(" please make ni equal or smaller than %d \n",
(int) (((bigTCo -4.0e-6 -POWER_DELAY)*sw1/0.5)+1.0) );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' || dm[D] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 50 )
{
text_error("don't fry the probe, dpwr3 too large! ");
psg_abort(1);
}
if( d_c90 > 62 )
{
text_error("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwc90 > 200.0e-6 )
{
text_error("dont fry the probe, pwc90 too high ! ");
psg_abort(1);
}
if( pwc180off > 200.0e-6 )
{
text_error("dont fry the probe, pwc180 too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
text_error("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 200.0e-6)
{
text_error("gt values are too long. Must be < 10.0e-3 or gt11=200us\n");
psg_abort(1);
}
if (fCT[A] == 'n' && fc180[A] =='y' && ni2 > 1.0) {
text_error("must set fc180='n' to allow Calfa evolution (ni2>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t1,1,4);
if (phase2 == 2) tsadd(t5,1,4);
if (phase3 == 2) { tsadd(t4, 2, 4); icosel = 1; }
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if((f1180[A] == 'y') && (ni>1)){
tau1 += (1.0/(2.0*sw1));
if(tau1 < 0.2e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if ((f2180[A] == 'y') && (ni2>1))
{
if (fCT[A]=='y')
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
else
{
if (pwc180off > 2.0*pwN)
{
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY);
}
else
{
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY);
}
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
}
tau2 = tau2/2.0;
/* Set up f3180 tau3 = t3 */
tau3 = d4;
if((f3180[A] == 'y') && (ni3>1)){
tau3 += ( 1.0 / (2.0*sw3) );
if(tau3 < 0.2e-6) tau3 = 0.4e-6;
}
tau3 = tau3/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d4_init = d4 ;
t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5 );
if(t3_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dof); /* set Dec1 carrier at Co */
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_c180); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr); txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwc180on );
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwc180on,zero,0.0,0.0);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwc180on );
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwc180on,zero,0.0,0.0);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
/* Transfer Coy to CoxCaz and CT period for t1 */
decrgpulse(pwc90,t1,2.0e-6,0.0);
delay(tau1);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
decpower(d_c180);
delay(taud -4.0*pwN -POWER_DELAY -0.5*(WFG_START_DELAY +pwc180off +WFG_STOP_DELAY));
decshaped_pulse(spca180,pwc180off,zero,0.0,0.0);
decphase(t8);
initval(1.0,v4); decstepsize(sphase); dcplrphase(v4);
delay(bigTCo -taud -0.5*(WFG_START_DELAY +pwc180off +WFG_STOP_DELAY) );
decrgpulse(pwc180on,t8,0.0,0.0);
decphase(one); dcplrphase(zero);
decpower(d_c90);
delay(bigTCo - tau1 - POWER_DELAY - 4.0e-6);
decrgpulse(pwc90,one,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq); /* change Dec1 carrier to Ca (56 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(150.0e-6);
/* t2 period */
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwc90,t5,2.0e-6,0.0);
if (fCT[A]=='y') /* Constant t2 */
{
decpower(d_c180);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
decshaped_pulse(spco180,pwc180off,zero,0.0,0.0);
decpower(d_creb);
decphase(t7);
initval(1.0,v3);
decstepsize(sphase2);
dcplrphase(v3);
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwc180off
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - 50.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl11,gt11);
delay(50.0e-6);
decshaped_pulse(spcareb,pwcareb,zero,0.0,0.0);
dcplrphase(zero);
decpower(d_c90); decphase(t7);
delay(0.2e-6);
zgradpulse(gzlvl11,gt11);
delay(50.0e-6);
delay(bigTCa - tau2 - WFG_STOP_DELAY - POWER_DELAY - gt11 - 50.2e-6);
decrgpulse(pwc90,t7,0.0,0.0);
}
else /* non_constant t2 */
{
if (fc180[A]=='n')
{
decphase(zero); dec2phase(zero);
decpower(d_c180);
delay(tau2);
sim3shaped_pulse("",spco180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,0.0,0.0);
decpower(d_c90);
decphase(t7);
delay(tau2);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
decrgpulse(pwc90,t7,4.0e-6,0.0);
}
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl10,gt10);
delay(150.0e-6);
/* refocusing CoyCaz to Cox */
decrgpulse(pwc90,zero,2.0e-6,0.0);
decpower(d_c180);
delay(tauc - POWER_DELAY - WFG_START_DELAY - pwc180off - WFG_STOP_DELAY);
decshaped_pulse(spca180,pwc180off,zero,0.0,0.0);
initval(1.0,v5);
decstepsize(sphase1);
dcplrphase(v5);
decrgpulse(pwc180on,zero,0.0e-6,0.0);
dcplrphase(zero);
delay(tauc - WFG_START_DELAY - pwc180off - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6);
decshaped_pulse(spca180,pwc180off,zero,0.0,0.0); /* BS */
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
decpower(d_c180);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwc180on);
dec2rgpulse(2*pwN,t3,0.0,0.0);
decrgpulse(pwc180on,zero,0.0,0.0);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwc180off - WFG_STOP_DELAY);
decshaped_pulse(spca180,pwc180off,zero,4.0e-6,0.0);
delay(tau3);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mess_flg[MAXSTR], /* water purging */
c180_flg[MAXSTR],
spco90a[MAXSTR],
spco180a[MAXSTR],
spco90b[MAXSTR],
spco180b[MAXSTR];
int phase, phase2, ni,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
tauc1, /* ca/cb refocus and ca/c' defocus = 4.5 ms */
tauc2, /* ca/cb stay and ca/c' refocus = 2.7 ms */
taud, /* ca-ha refocus; 1.8 ms */
BigTC, /* carbon constant time period */
dly_pg1, /* delay for water purging */
pwN, /* PW90 for 15N pulse */
pwca90a, /* PW90 for ca nucleus @ pwClvl */
pwca180a, /* PW180 for ca at dvhpwra */
pwco180a, /* PW180 for c' using seduce shape */
pwca90b, /* PW90 for ca nucleus @ dhpwrb */
pwca180b, /* PW180 for ca nucleus @ dvhpwrb */
pwco180b, /* PW180 for c' using rectang. pulse */
pwco90b, /* PW90 for co nucleus @ dhpwrb */
tsatpwr, /* low level 1H trans.power for presat */
tpwrml, /* power level for h decoupling */
tpwrmess, /* power level for water purging */
pwmlev, /* h 90 pulse at tpwrml */
pwClvl, /* power level for 13C pulses on dec1
90 for part a of the sequence at 43 ppm */
dvhpwra, /* power level for 180 13C pulses at 43 ppm */
dpwr_coa, /* power level for C' 180 pulses at 43 ppm */
dhpwrb, /* power level for 13C pulses on dec1 - 54 ppm
90 for part b of the sequence */
dvhpwrb, /* power level for 13C pulses on dec1 - 54 ppm
180 for part b of the sequence */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
dofcacb, /* dof for dipsi part, 43 ppm */
cln_dly, /* so that get rid of crap from hb etc with
zero tocsy transfer */
sphase,
pwC, compC, /* C-13 RF calibration parameters */
compH,
waltzB1,gstab,
ni2=getval("ni2"),
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("mess_flg",mess_flg);
getstr("c180_flg",c180_flg);
taua = getval("taua");
tauc1 = getval("tauc1");
tauc2 = getval("tauc2");
taud = getval("taud");
BigTC = getval("BigTC");
dly_pg1 = getval("dly_pg1");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
tpwrml = getval("tpwrml");
tpwrmess = getval("tpwrmess");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
dofcacb = getval("dofcacb");
cln_dly = getval("cln_dly");
ni = getval("ni");
sphase = getval("sphase");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
if(autocal[0]=='n')
{
getstr("spco90a",spco90a);
getstr("spco180a",spco180a);
getstr("spco90b",spco90b);
getstr("spco180b",spco180b);
pwmlev = getval("pwmlev");
pwca90a = getval("pwca90a");
pwca180a = getval("pwca180a");
pwco180a = getval("pwco180a");
pwca90b = getval("pwca90b");
pwca180b = getval("pwca180b");
pwco90b = getval("pwco90b");
pwco180b = getval("pwco180b");
pwClvl = getval("pwClvl");
dvhpwra = getval("dvhpwra");
dpwr_coa = getval("dpwr_coa");
dhpwrb = getval("dhpwrb");
dvhpwrb = getval("dvhpwrb");
}
else
{
waltzB1=getval("waltzB1");
pwmlev=1/(4.0*waltzB1);
compH = getval("compH");
tpwrml= tpwr - 20.0*log10(pwmlev/(compH*pw));
tpwrml= (int) (tpwrml + 0.5);
strcpy(spco90a,"Psed180_133p");
strcpy(spco180a,"Psed180_133p");
strcpy(spco90b,"Phard90co_118p");
strcpy(spco180b,"Phard180co_118p");
if (FIRST_FID)
{
pwC = getval("pwC");
pwClvl = getval("pwClvl");
compC = getval("compC");
ca90 = pbox("cal", CA90, "", dfrq, compC*pwC, pwClvl);
ca180 = pbox("cal", CA180, "", dfrq, compC*pwC, pwClvl);
co180 = pbox(spco180a, CO180, CO180ps, dfrq, compC*pwC, pwClvl);
ca90b = pbox("cal", CA90b, "", dfrq, compC*pwC, pwClvl);
ca180b = pbox("cal", CA180b, "", dfrq, compC*pwC, pwClvl);
co90b = pbox(spco90b, CO90b, CA180ps, dfrq, compC*pwC, pwClvl);
co180b = pbox(spco180b, CO180b, CA180ps, dfrq, compC*pwC, pwClvl);
w16 = pbox_dec("cal", "WALTZ16", tpwrml, sfrq, compH*pw, tpwr);
}
pwca90a = ca90.pw; pwClvl = ca90.pwr;
pwca180a = ca180.pw; dvhpwra = ca180.pwr;
pwco180a = co180.pw; dpwr_coa = co180.pwr;
pwco90b = co90b.pw; dhpwrb = co90b.pwr;
pwco180b = co180b.pw;
pwca90b = ca90b.pw;
pwca180b = ca180b.pw; dvhpwrb = ca180b.pwr;
pwmlev = 1.0/w16.dmf;
}
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,2,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,16,phi7);
settable(t9,4,phi9);
settable(t8,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( ni*1/(sw1) > 2.0*BigTC )
{
printf(" ni is too big\n");
psg_abort(1);
}
if((c180_flg[A] == 'y') && (ni2>1))
{
printf("set c180_flg=n for C=O evolution");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( pwmlev < 30.0e-6 )
{
printf("too much power during proton mlev sequence\n");
psg_abort(1);
}
if( tpwrml > 53 )
{
printf("tpwrml is too high\n");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( dhpwrb > 62 )
{
printf("don't fry the probe, DHPWRB too large! ");
psg_abort(1);
}
if( dvhpwrb > 62 )
{
printf("don't fry the probe, DVHPWRB too large! ");
psg_abort(1);
}
if( pwNlvl > 62 )
{
printf("don't fry the probe, DHPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwmlev > 200.0e-6 )
{
printf("dont fry the probe, pwmlev too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwca90a > 200.0e-6 )
{
printf("dont fry the probe, pwca90a too high ! ");
psg_abort(1);
}
if( pwca90b > 200.0e-6 )
{
printf("dont fry the probe, pwca90b too high ! ");
psg_abort(1);
}
if( pwca180b > 200.0e-6 )
{
printf("dont fry the probe, pwca180b too high ! ");
psg_abort(1);
}
if( pwco90b > 200.0e-6 )
{
printf("dont fry the probe, pwco180b too high ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 || gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3 )
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t3,1,4);
}
if (phase2 == 2)
tsadd(t7,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - pwca180b - 2.0*pwN - (4.0/PI)*pwco90b - 2*POWER_DELAY - WFG_START_DELAY - WFG_STOP_DELAY - 2.0e-6 );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t3,2,4);
tsadd(t8,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t7,2,4);
tsadd(t8,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
/* Receiver off time */
status(A);
decoffset(dofcacb); /* initially pulse at 43 ppm */
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwca90a,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
decphase(t1);
decpower(dvhpwra);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - POWER_DELAY - gt1 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,pwca180a,zero,t1,0.0,0.0);
decpower(pwClvl);
txphase(t2); decphase(t3);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - POWER_DELAY - gt1 - 4.0e-6);
rgpulse(pw,t2,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwca90a,t3,0.0,2.0e-6);
delay(tau1);
decpower(dpwr_coa);
decshaped_pulse(spco180a,pwco180a,zero,2.0e-6,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
decpower(dvhpwra);
delay(0.8e-3 - gt7 - 4.0e-6 - 2*POWER_DELAY);
delay(0.2e-6);
rgpulse(2*pw,zero,0.0,0.0);
decphase(t4);
delay(BigTC - 0.8e-3);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decrgpulse(pwca180a,t4,2.0e-6,2.0e-6);
dcplrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(BigTC - tau1 + 2*pwN + 2*pw - 2.0*POWER_DELAY - gt7 - 4.0e-6);
delay(0.2e-6);
decpower(dpwr_coa);
decshaped_pulse(spco180a,pwco180a,zero,2.0e-6,0.0); /* bloch seigert */
decpower(pwClvl);
decrgpulse(pwca90a,t9,2.0e-6,0.0);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* H decoupling on */
decpower(dpwr_coa);
decshaped_pulse(spco180a,pwco180a,zero,2.0e-6,0.0); /* bloch seigert */
decpower(pwClvl);
delay(tauc1 - 4.0*POWER_DELAY - PRG_START_DELAY - 2.0e-6);
decpower(dvhpwra);
decrgpulse(pwca180a,t5,2.0e-6,0.0);
decpower(dpwr_coa);
decshaped_pulse(spco180a,pwco180a,zero,2.0e-6,0.0);
decpower(pwClvl);
delay(tauc1 - 2.0*POWER_DELAY - 2.0e-6);
decrgpulse(pwca90a,t6,2.0e-6,0.0);
delay(2.0e-6);
decphase(t7);
/* H decoupling off */
xmtroff();
obsprgoff();
/* H decoupling off */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decoffset(dof);
hsdelay(cln_dly);
decpower(dhpwrb);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* H decoupling on */
delay(2.0e-6);
decshaped_pulse(spco90b,pwco90b,t7,0.0,0.0);
delay(tau2);
if(c180_flg[A] == 'y') {
delay(4.0e-6);
decshaped_pulse(spco180b,pwco180b,zero,0.0,0.0);
delay(4.0e-6);
}
else
{
decpower(dvhpwrb);
decrgpulse(pwca180b,zero,2.0e-6,0.0);
decpower(dhpwrb);
dec2rgpulse(2*pwN,zero,0.0,0.0);
}
delay(tau2);
decshaped_pulse(spco90b,pwco90b,zero,0.0,0.0);
delay(0.2e-6);
/* H decoupling off */
xmtroff();
obsprgoff();
/* H decoupling off */
if(mess_flg[A] == 'y') {
obspower(tpwrmess);
rgpulse(dly_pg1,zero,2.0e-6,2.0e-6);
rgpulse(dly_pg1/1.62,one,2.0e-6,2.0e-6);
}
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
obspower(tpwr);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4/1.73);
delay(gstab);
decrgpulse(pwca90b,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taud - gt5 - 4.0e-6);
rgpulse(2*pw,zero,0.0,0.0);
delay(tauc2 - taud - POWER_DELAY - 2*pw - 2.0e-6 - 2.0e-6);
decshaped_pulse(spco180b,pwco180b,zero,2.0e-6,0.0);
decpower(dvhpwrb);
decrgpulse(pwca180b,zero,2.0e-6,0.0);
decpower(dhpwrb);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(tauc2 - gt5 - 6.0e-6 - POWER_DELAY);
decshaped_pulse(spco180b,pwco180b,zero,0.0,0.0); /* bloch seigert */
simpulse(pw,pwca90b,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
delay(taua - POWER_DELAY - gt6 - 4.0e-6 - 2.0e-6);
decpower(dvhpwrb);
simpulse(2*pw,pwca180b,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
delay(taua - POWER_DELAY - gt6 - 4.0e-6);
decpower(dpwr); /* Set power for decoupling */
rgpulse(pw,zero,0.0,0.0);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t8);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
gt0,
gt1,
gt2,
gt3,
gt4,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
decstep1,
bw, ofs, ppm,
pwd1,
dpwr3_D,
pwd,
tpwrs,
pwHs,
dof_me,
tof_dtt,
tpwrs1,
pwHs1,
dpwrsed,
pwsed,
dressed,
rfrb_cg,
pwrb_cg;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
tofps = getval("tofps");
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
BigTC1 = getval("BigTC1");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
decstep1 = getval("decstep1");
pwd1 = getval("pwd1");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
pwHs1 = pwHs;
tpwrs=-16.0; tpwrs1=tpwrs;
tof_dtt = getval("tof_dtt");
dpwrsed = -16;
pwsed = 1000.0;
dressed = 90.0;
pwrb_cg = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 136.0*ppm;
cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl);
if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! ");
if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! ");
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs); tpwrs1=tpwrs;
dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres;
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,8,phi7);
settable(t8,1,phi8);
settable(t9,2,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(dpwr3_D > 49)
{
printf("dpwr3_D is too high; < 50\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if(dpwrsed > 48)
{
printf("dpwrsed must be less than 49\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
if(ix==1) {
printf("make sure that BigTC1 is set properly for your application\n");
printf("7 ms, neglecting relaxation \n");
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t1,1,4);
tsadd(t2,1,4);
tsadd(t3,1,4);
tsadd(t4,1,4);
}
if (phase2 == 2)
tsadd(t8,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 2.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to low power */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
decoffset(dof_me);
lk_hold();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs1);
shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab);
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
if(C_flg[A] == 'n') {
decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6);
decprgon(cosed.name,pwsed,dressed);
decon();
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1);
decoff();
decprgoff();
decblank();
decpower(pwClvl);
}
else
simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6);
decrgpulse(pwC,t5,2.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t6);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t6,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t7);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2H decoupling off */
decrgpulse(pwC,t7,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t8);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t8,4.0e-6,0.0);
decoffset(dof_me);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 -gstab
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - POWER_DELAY - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ fulldwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
bw, ofs, ppm,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
decstep1,
decstep2,
decstep3,
tpwrs,
pwHs,
dof_me, rfrb_cg, rfrb_co, pwrb_co, pwrb_cg,
tof_dtt,
rfca90,
pwca90,
rfca180,
pwca180,
pwco90,
dofCO;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gstab = getval("gstab");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
decstep1 = getval("decstep1");
decstep2 = getval("decstep2");
decstep3 = getval("decstep3");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
tof_dtt = getval("tof_dtt");
dofCO = getval("dofCO");
tpwrs = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 60*ppm; ofs = 136.0*ppm;
rb180_co = pbox_make("rb180_coP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = -118.0*ppm;
ca180 = pbox_make("ca180P", "square180n", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = 18.0*ppm;
ca90 = pbox_make("ca90P", "square90n", bw, ofs, compC*pwC, pwClvl);
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
pwrb_co = rb180_co.pw; rfrb_co = rb180_co.pwrf; /* set up parameters */
pwca90 = ca90.pw; rfca90 = ca90.pwrf; /* set up parameters */
pwca180 = ca180.pw; rfca180 = ca180.pwrf; /* set up parameters */
pwco90 = pwca90;
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t6,16,phi6);
settable(t7,8,phi7);
settable(t8,8,phi8);
settable(t9,8,phi9);
settable(t10,1,phi10);
settable(t11,8,phi11);
settable(t12,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 9 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 || gt5 > 5.0e-3 || gt6 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t11,1,4);
}
if (phase2 == 2)
tsadd(t10,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 4.0/PI*pwco90 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwca180 - WFG_STOP_DELAY - POWER_DELAY - 2.0*pwN;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t11,2,4);
tsadd(t12,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t10,2,4);
tsadd(t12,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to high power */
/* Presaturation Period */
if (satmode[A] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
decoffset(dof_me);
lk_hold(); lk_sampling_off();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab -2.0e-6 );
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - 4.0e-6 - 1/dmf3
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decpwrf(rfrb_co); decphase(zero);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(rfrb);
delay(taub - (2.0/PI)*pwC - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep2);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero); decpwrf(rfrb_co);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0);
decphase(t5);
decpwrf(rfca90);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY
- WFG_START_DELAY - (2.0/PI)*pwca90);
decshaped_pulse(ca90.name,pwca90,t5,0.0,0.0);
decoffset(dofCO);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
/* 2H decoupling off */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decrgpulse(pwco90,t11,4.0e-6,0.0);
if(C_flg[A] == 'n') {
decpwrf(rfca180);
delay(tau1);
decshaped_pulse(ca180.name,pwca180,zero,4.0e-6,0.0);
decpwrf(rfca90); decphase(zero);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau1);
}
else
decrgpulse(2.0*pwco90,zero,4.0e-6,4.0e-6);
decrgpulse(pwco90,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
/* turn on 2H decoupling */
dec3phase(one);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
decoffset(dof);
decpwrf(rfca90);
decshaped_pulse(ca90.name,pwca90,t6,4.0e-6,0.0);
decpwrf(rfrb_co); decphase(zero);
delay(taub - WFG_STOP_DELAY - (2.0/PI)*pwca90 - POWER_DELAY - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
decshaped_pulse(rb180_co.name,pwrb_co,zero,0.0,0.0);
decpwrf(rfrb);
initval(1.0,v3);
decstepsize(decstep3);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_co);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- (2.0/PI)*pwC);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(4095.0);
decrgpulse(pwC,t7,4.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t8);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t8,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t9);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - 1/dmf3);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
lk_autotrig();
/* 2H decoupling off */
decrgpulse(pwC,t9,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t10);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t10,4.0e-6,0.0);
decoffset(dof_me);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 - gstab -2.0e-6
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6 - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* BEGIN ACQUISITION */
lk_sample();
status(C);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCTCa[MAXSTR], /* Flag for CT or non_CT on Ca dimension */
sel_flg[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
pwS4, /* selective CO 180 */
pwS3, /* selective Ca 180 */
pwS1, /* selecive Ca 90 */
pwS2, /* selective CO 90 */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCTCa",fCTCa);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
dpwr = getval("dpwr");
dpwr3 = getval("dpwr3");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
pwS1=c13pulsepw("ca", "co", "square", 90.0);
pwS2=c13pulsepw("co", "ca", "sinc", 90.0);
pwS3=c13pulsepw("ca", "co", "square", 180.0);
pwS4=c13pulsepw("co", "ca", "sinc", 180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 50.0e-6)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t5,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t1,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t5,1,4); tsadd(t1,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = 1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ca/swTilt;
tau2 = 1.0*t1_counter*cos_CO/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS4 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS4)*2.0*swTilt/cos_N))); psg_abort(1);}
if ((fCTCa[A]=='y') && (bigTCa - 0.5*ni*(cos_Ca/swTilt) - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6))
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTCa -WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6)/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
if (bigTCo - 0.5*ni*(cos_CO/swTilt) - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
printf(" ni is too big for CO. Make ni equal to %d or less.\n",
(int) ((bigTCo - 4.0e-6 - POWER_DELAY) / (0.5*cos_CO/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
set_c13offset("ca"); /* set Dec1 carrier at Ca */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
zero, zero, zero, 2.0e-6, 0.0);
set_c13offset("co"); /* set Dec1 carrier at Co */
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); dec2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxx 13CO to 13CA TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt10 - 100.2e-6 - (0.5*10.933*pwC));
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - 4.0e-6 - gt10 - 100.2e-6 - (0.5*10.933*pwC));
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0);
if (fCTCa[A]=='y')
{
/* Constant t2 */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1);
decoff();
decprgoff();
decpower(pwClvl);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwS4
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
decpower(pwClvl);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
initval(1.0,v3);
decstepsize(140);
dcplrphase(v3);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
}
/* non_constant t2 */
else
{
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decstepsize(1.0);
initval(sphase1, v3);
dcplrphase(v3);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
}
decpower(pwClvl);
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl12, gt12);
delay(gstab);
/* xxxxxxxxxxxxxxx 13CA to 13CO TRANSFER and CT 13CO EVOLUTION xxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
delay(taud - 4.0*pwN - POWER_DELAY
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY));
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
decphase(t8);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
delay(bigTCo - taud
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY) );
c13pulse("co", "ca", "sinc", 180.0, t8, 0.0, 0.0);
dcplrphase(zero); decphase(one);
delay(bigTCo - tau2 - POWER_DELAY - 4.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS4);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
txphase(zero);
dec2phase(t4);
delay(bigTN - gt5 - gstab -0.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwS3 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 4.0e-6, 0.0);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(50.0e-6);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(50.0e-6);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 2.0*POWER_DELAY);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
cbdecseq[MAXSTR],
chirp_shp[MAXSTR], /* name of variable containing name of Pbox shape */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
sel_flg[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double d2_init=0.0, /* used for states tppi in t1 */
tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
cophase, /* phase correction for CO evolution */
caphase, /* phase correction for Ca evolution */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
pwS1, /* length of 90 on Ca */
pwS2, /* length of 90 on CO */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 180 on CO */
pwS5, /* CHIRP inversion pulse on CO and CA */
pwrS5=0.0, /* power of CHIRP pulse */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* ampl. compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0;
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("fscuba",fscuba);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
satpwr = getval("tsatpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
cophase = getval("cophase");
caphase = getval("caphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t4,8,phi4);
settable(t5,4,phi5);
settable(t6,8,rec);
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co","ca","sinc",180.0);
/*this section creates the chirp pulse inverting both co and ca*/
/*Pcoca180 is the name of the shapelib file created */
/*chirp180 is a file produced by Pbox psg containing parameter values from shape*/
strcpy(chirp_shp,"Pcoca180");
if (FIRST_FID) /* make shape once */
chirp180 = pbox(chirp_shp, CHIRP180, CHIRP180ps, dfrq, compC*pwC, pwClvl);
pwrS5 = chirp180.pwr; /* get pulse power from file */
pwS5 = chirp180.pw; /* get pulse width from file */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t1,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1,1,4); tsadd(t5,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_CO/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN )*2.0*swTilt/cos_N))); psg_abort(1);}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
set_c13offset("co"); /* set Dec1 carrier at Co */
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 2.0e-6);
txphase(zero);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taua - gt1 - gstab - 2.0e-6);
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
decpower(pwrS5);
delay( zeta -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
decpower(pwrS5);
delay( zeta - 1.34e-3 - 2.0*pw -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* t1 period for CO evolution */
c13pulse("co", "ca", "sinc", 90.0, t1, 0.0, 0.0);
if (!strcmp(fco180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(10.0e-6);
}
else
{
if (tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6 > 0.0)
{
delay(tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(tau1-2.0*pwS2/PI-pwN-SAPS_DELAY-WFG3_STOP_DELAY-POWER_DELAY-2.0e-6);
}
else
{
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t2 period for Ca evolution*/
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 0.0, 0.0);
if (!strcmp(fca180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
delay(10.0e-6);
}
else
{
if (tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
-WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6 > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-SAPS_DELAY-WFG3_STOP_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
decpower(pwClvl);
}
else
{
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("ca", "co", "square", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
decpower(pwrS5);
delay(bigTN - tau3 -POWER_DELAY);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
delay(bigTN - WFG_START_DELAY - pwS5 - WFG_STOP_DELAY
- gt5 - gstab - 2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, zero, 20.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwS1 - 20.0e-6 - pwS2 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
set_c13offset("co");
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(gstab);
txphase(one);
dec2phase(one);
delay(taub - gt6 - gstab);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(gstab);
delay(taub - gt7 - gstab);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(gstab);
delay(BigT1 - gt8/2.0 - gstab - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(gstab);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - gstab - 2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
pulsesequence()
{
char
f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR]; /* y for magic angle, n for z-gradient only */
int
icosel,
t1_counter,
t2_counter;
double
ni2,
ratio, /* used to adjust t1 semi-constant time increment */
tau1,
tau2,
taua, /* ~ 1/4JCH = 1.5 ms - 1.7 ms] */
taub, /* ~ 3.3 ms */
bigTC, /* ~ 8 ms */
bigTCO, /* ~ 6 ms */
bigTN, /* ~ 12 ms */
tauc, /* ~ 5.4 ms */
taud, /* ~ 2.3 ms */
gstab, /* ~0.2 ms, gradient recovery time */
pwClvl, /* High power level for carbon on channel 2 */
pwC, /* C13 90 degree pulse length at pwClvl */
compH, /* Compression factor for H1 on channel 1 */
compC, /* Compression factor for C13 on channel 2 */
pwNlvl, /* Power level for Nitrogen on channel 3 */
pwN, /* N15 90 degree pulse lenght at pwNlvl */
maxpwCN,
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
pwCa90, /*90 "offC13" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCa180, /*180 "offC17" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCO90, /* 90 "offC6" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCO180, /* 180 "offC8" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCab180, /* 180 "offC27" pulse at Cab(46ppm) xmtr at CO(174ppm)*/
tpwrHd, /* Power level for proton decoupling on channel 1 */
pwHd, /* H1 90 degree pulse lenth at tpwrHd. */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
phi_CO, /* phase correction for Bloch-Siegert effect on CO */
phi_Ca, /* phase correction for Bloch-Siegert effect on Ca */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6, /* N15 selection gradient level in DAC units */
gzlvl7,
gzlvl0, /* H1 gradient level in DAC units */
gzcal, /* gradient calibration (gcal) */
dfCa180,
dfCab180,
dfC90,
dfCa90,
dfCO180;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg", mag_flg);
gzcal = getval("gzcal");
ni2 = getval("ni2");
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
bigTC = getval("bigTC");
bigTCO = getval("bigTCO");
bigTN = getval("bigTN");
taud = getval("taud");
gstab = getval("gstab");
pwClvl = getval("pwClvl");
pwC = getval("pwC");
compH = getval("compH");
compC = getval("compC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
phi_CO = getval("phi_CO");
phi_Ca = getval("phi_Ca");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt0 = getval("gt0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl0 = getval("gzlvl0");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
pwCa90 = getval("pwCa90");
pwCa180 = getval("pwCa180");
pwCab180 = getval("pwCab180");
pwCO90 = getval("pwCO90");
pwCO180 = getval("pwCO180");
dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/
dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/
dfC90 = (compC*4095.0*pwC*1.69)/pwCO90; /*power for "offC6" pulse */
dfCa90 = (compC*4095.0*pwC)/pwCa90; /*power for "offC13" pulse*/
dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */
dfCa90 = (int) (dfCa90 + 0.5);
dfCa180 = (int) (dfCa180 + 0.5);
dfC90 = (int) (dfC90 + 0.5);
dfCO180 = (int) (dfCO180 + 0.5);
dfCab180 = (int) (dfCab180 +0.5);
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrHd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrHd = (int) (tpwrHd + 0.5);
}
else
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm;
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 128.0*ppm;
offC13 = pbox_make("offC13", "square90n", bw, ofs, compC*pwC, pwClvl);
ofs = -128.0*ppm;
offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 2.8*7500.0;
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
dfC90 = offC6.pwrf; pwCO90 = offC6.pw;
dfCO180 = offC8.pwrf; pwCO180 = offC8.pw;
dfCa90 = offC13.pwrf; pwCa90 = offC13.pw;
dfCa180 = offC17.pwrf; pwCa180 = offC17.pw;
dfCab180 = offC27.pwrf; pwCab180 = offC27.pw;
tpwrHd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
maxpwCN = 2.0*pwN;
if (pwCab180 > pwN) maxpwCN = pwCab180;
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t5,1,phi5);
settable(t16,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ni > 64)
{
printf("ni is out of range. Should be: 14 to 64 ! \n");
psg_abort(1);
}
/*
if(ni/sw1 > 2.0*(bigTCO))
{
printf("ni is too big, should be < %f\n", sw1*2.0*(bigTCO));
psg_abort(1);
}
*/
if(ni2/sw2 > 2.0*(bigTN - pwCO180))
{
printf("ni2 is too big, should be < %f\n",2.0*sw2*(bigTN-pwCO180));
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase1 == 1)
{
tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if ((f1180[A] == 'y') && (ni > 1))
{ tau1 += (1.0/(2.0*sw1)); }
if(tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/4.0;
ratio = 2.0*bigTCO*sw1/((double) ni);
ratio = (double)((int)(ratio*100.0))/100.0;
if (ratio > 1.0) ratio = 1.0;
if((dps_flag) && (ni > 1))
printf("ratio = %f => %f\n",2.0*bigTCO*sw1/((double) ni), ratio);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if ((f2180[A] == 'y') && (ni2 > 1))
{ tau2 += (1.0/(2.0*sw2)); }
if(tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/4.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if((t1_counter % 2))
{
tsadd(t1,2,4);
tsadd(t16,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if((t2_counter % 2))
{
tsadd(t2,2,4);
tsadd(t16,2,4);
}
decstepsize(1.0);
initval(phi_CO, v1);
initval(phi_Ca, v2);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1-1.0e-3);
obsoffset(tof);
decoffset(dof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
rcvroff();
if(gt6 > 0.2e-6)
{
delay(10.0e-6);
decrgpulse(pwC, zero, 1.0e-6, 1.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
}
decpwrf(dfCa180);
delay(1.0e-3);
rgpulse(pw,zero,1.0e-6,1.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(taua - gt0 - 2.0e-6 - WFG_START_DELAY);
simshaped_pulse("","offC17",2.0*pw,pwCa180,zero,zero,1.0e-6,1.0e-6);
/* c13 offset on CO, slp 180 on Ca */
delay(taua - gt0 - 500.0e-6 - WFG_STOP_DELAY);
zgradpulse(gzlvl0,gt0);
txphase(one);
delay(500.0e-6);
rgpulse(pw, one, 1.0e-6, 1.0e-6);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
obspower(tpwrHd);
decpwrf(dfCa90);
delay(200.0e-6);
/* c13 offset on CO, slp 90 on Ca */
decshaped_pulse("offC13", pwCa90, zero, 0.0, 0.0);
delay(taub -PRG_START_DELAY);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfC90);
decphase(t1);
delay(bigTC -taub -SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, on-res 90 on CO */
decshaped_pulse("offC6", pwCO90, t1, 0.0, 0.0);
/* CO EVOLUTION BEGINS */
decpwrf(dfCO180);
decphase(zero);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfCab180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_STOP_DELAY);
xmtroff();
obsprgoff();
/* c13 offset on CO, slp 180 at Cab */
sim3shaped_pulse("","offC27","",0.0,pwCab180,2.0*pwN,zero,zero,zero,0.0,0.0);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfCO180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_START_DELAY);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfC90);
dcplrphase(v1);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1 -SAPS_DELAY);
/* CO EVOLUTION ENDS */
decshaped_pulse("offC6", pwCO90, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 90 on CO */
decpwrf(dfCa90);
decphase(t3); dcplrphase(v2);
delay(bigTC -2.0*SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, slp 90 at Ca */
decshaped_pulse("offC13", pwCa90, t3, 0.0, 0.0);
xmtroff();
decpwrf(dfCO180);
decphase(zero); dcplrphase(zero);
dec2phase(t2);
delay(2.0e-5);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
txphase(zero);
delay(150.0e-6);
dec2rgpulse(pwN, t2, 0.0, 0.0);
/* N15 EVOLUTION BEGINS HERE */
delay(bigTN/2.0 -tau2);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); /* c13 offset on CO, on-res 180 on CO */
decpwrf(dfCa180);
dec2phase(t4);
delay(bigTN/2.0 -tau2);
dec2rgpulse(2.0*pwN, t4, 0.0, 0.0);
decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0); /* c13 offset on CO, slp 180 at Ca */
decpwrf(dfCO180);
delay(bigTN/2.0 +tau2 -pwCa180 -WFG_START_DELAY -WFG_STOP_DELAY);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 180 on CO */
delay(bigTN/2.0 +tau2 -tauc -PRG_STOP_DELAY);
dec2phase(t5);
xmtroff();
obsprgoff();
obspower(tpwr);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1);
delay(tauc -gt1 -2.0*GRADIENT_DELAY);
/* N15 EVOLUTION ENDS HERE */
sim3pulse(pw,0.0, pwN, zero,zero, t5, 0.0, 0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 500.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
txphase(one);
decphase(one);
delay(500.0e-6);
sim3pulse(pw,0.0, pwN, one,zero, one, 0.0, 0.0);
delay(2.0e-6);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 2.0*POWER_DELAY - 500.0e-6);
zgradpulse(gzlvl5, gt5);
decpower(dpwr);
dec2power(dpwr2);
delay(500.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gstab +gt2 +2.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt2);
else zgradpulse(icosel*gzlvl2, gt2);
delay(0.5*gstab);
rcvron();
statusdelay(C, 0.5*gstab);
setreceiver(t16);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR], /* do TROSY on N15 and H1 */
CT_c[MAXSTR],
h1dec[MAXSTR];
int icosel, /* used to get n and p type */
t1_counter=getval("t1_counter"), /* used for states tppi in t1 */
t2_counter=getval("t2_counter"), /* used for states tppi in t2 */
nli = getval("nli"),
nli2 = getval("nli2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauCC = 7.0e-3, /* delay for Ca to Cb cosy */
tauC = 13.3e-3, /* constantTime for 13Cb evolution */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
zeta = 3.0e-3,
taud = 1.7e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab (46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC7" etc are called */
/* directly from your shapelib. */
pwC7 = getval("pwC7"), /*180 degree pulse at CO(174ppm) null at Ca(56ppm) */
pwC7a = getval("pwC7a"), /* pwC7a=pwC7, but not set to zero when pwC7=0 */
phshift7, /* phase shift induced on Cab by pwC7 ("offC7") pulse */
pwZ, /* the largest of pwC7 and 2.0*pwN */
pwZ1, /* the larger of pwC7a and 2.0*pwN for 1D experiments */
rf7, /* fine power for the pwC7 ("offC7") pulse */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC5" etc are called */
/* directly from your shapelib. */
pwC5 = getval("pwC5"), /*180 degree pulse at CO(174ppm) null at Ca(56ppm) */
rf5, /* fine power for the pwC7 ("offC7") pulse */
/* g3 inversion pulse in the t1 period (centred at 150ppm) */
pwCgCO_lvl = getval("pwCgCO_lvl"),
pwCgCO = getval("pwCgCO"),
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gstab = getval("gstab"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt8 = getval("gt8"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7"),
gzlvl8 = getval("gzlvl8");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
getstr("CT_c",CT_c);
getstr("h1dec",h1dec);
/* LOAD PHASE TABLE */
settable(t2,1,phy);
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = (compC*4095.0*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4095 )
{ printf("Recalibrate so that C13 90 <22us*600/sfrq"); psg_abort(1);}
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7a; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf5 = (compC*4095.0*pwC*1.69)/pwC5; /* needs 1.69 times more */
rf5 = (int) (rf5 + 0.5); /* power than a square pulse */
/* the pwC7 pulse at the middle of t1 */
if ((nli2 > 0.0) && (nli == 1.0)) nli = 0.0;
if (pwC7a > 2.0*pwN) pwZ = pwC7a; else pwZ = 2.0*pwN;
if ((pwC7==0.0) && (pwC7a>2.0*pwN)) pwZ1=pwC7a-2.0*pwN; else pwZ1=0.0;
if ( nli > 1 ) pwC7 = pwC7a;
if ( pwC7 > 0 ) phshift7 = 320.0;
else phshift7 = 0.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*nli2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" nli2 is too big. Make nli2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) { tsadd(t3,1,4); tsadd(t2,1,4);}
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
if( ix == 1) d2_init = d2;
tau1 = d2_init + (t1_counter) / sw1;
if((f1180[A] == 'y') && (nli > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
if( ix == 1) d3_init = d3;
tau2 = d3_init + (t2_counter) / sw2;
if((f2180[A] == 'y') && (nli2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
decphase(zero);
dcplrphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
obspower(tpwrs);
if (TROSY[A]=='y') {
txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
obspower(tpwrd); /* POWER_DELAY */
decphase(zero);
dec2phase(zero);
decpwrf(rf7);
delay(timeTN - 0.5*kappa - POWER_DELAY -WFG_START_DELAY);
}
else {
txphase(zero);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf7);
delay(timeTN - kappa -WFG_START_DELAY);
}
sim3shaped_pulse("","offC7","",0.0, pwC7, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decphase(t3);
decpwrf(rf5);
delay(timeTN -WFG_STOP_DELAY -pwHd);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n') {
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decpwrf(rf5);
decshaped_pulse("offC5", pwC5, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf0);
decphase(zero);
delay(zeta - gt7 - 0.5*10.933*pwC-2.0e-6);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf5);
decphase(one);
txphase(one);
delay(zeta - gt7 - 0.5*10.933*pwC - WFG_START_DELAY-2.0e-6);
/* WFG_START_DELAY */
decshaped_pulse("offC5", pwC5, one, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(1.33*gzlvl3,gt3);
delay(200.0e-6);
if(dm3[B] == 'y'){ /*optional 2H decoupling on */
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
decpwrf(rf1);
decphase(t2);
txphase(one);
if (h1dec[A]=='y') {
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
}
decrgpulse(pwC1, t3, 0.0, 0.0);
decphase(zero);
decpwrf(rf2);
delay(tauCC -gt5 -202.0e-6 -POWER_DELAY- pwHd -PRG_STOP_DELAY -1/dmf3
-2.0e-6 - WFG_STOP_DELAY);
if(dm3[B] == 'y') { /*optional 2H decoupling off */
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
else delay(1/dmf3 +WFG_STOP_DELAY);
if(h1dec[A]=='y') {
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
}
else delay(pwHd +2.0e-6 +PRG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(-gzlvl5, gt5);
delay(200.0e-6);
decrgpulse(pwC2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(-gzlvl5, gt5);
delay(200.0e-6);
decpwrf(rf1);
if(h1dec[A]=='y'){
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
}
else delay(pwHd+2.0e-6+PRG_START_DELAY);
if(dm3[B] == 'y'){ /*optional 2H decoupling on */
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
else delay(1/dmf3+WFG_START_DELAY);
delay(tauCC -gt5 -202.0e-6 -POWER_DELAY -1/dmf3 -WFG_START_DELAY
-POWER_DELAY -pwHd -2.0e-6 -PRG_START_DELAY
-pwHd-2.0e-6-PRG_STOP_DELAY);
if((h1dec[A]=='y') && (h1dec[B]=='n')) {
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,one,2.0e-6,0.0);
decrgpulse(pwC1,t2,0.0,0.0);
}
else {
delay(pwHd+2.0e-6+PRG_STOP_DELAY-POWER_DELAY);
if ((h1dec[A]=='y')&&(h1dec[B]=='y')) {
delay(POWER_DELAY);
decrgpulse(pwC1,t2,0.0,0.0);
}
if ((h1dec[A]=='n')&&(h1dec[B]=='n')) {
obspower(tpwr);
simpulse(2.0*pw,pwC1,two,t2,0.0,0.0); /* Assuming 2.0*pw < pwC1 */
}
}
/* It could be h1dec='ny' ??? */
/* xxxxxxxxxxxxxxxxxxxxxx 13Cb EVOLUTION xxxxxxxxxxxxxxxxxx */
if (CT_c[0]=='n') {
if ((nli>1.0) && (tau1>0.0)) { /* total 13C evolution equals d2 exactly */
/* 2.0*pwC1/PI compensates for evolution at 64% rate during pwC1 */
decpwrf(rf7);
if(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ > 0.0) {
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift7, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
delay(tau1 - 2.0*pwC1/PI - SAPS_DELAY - 0.5*pwZ - 2.0e-6);
}
else {
initval(180.0, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
delay(2.0*tau1 - 4.0*pwC1/PI - SAPS_DELAY - 2.0e-6);
}
}
else if (nli==1.0) { /* special 1D check of pwC7 phase enabled when nli=1 */
decpwrf(rf7);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1 + WFG_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
2.0e-6, 0.0);
initval(phshift7, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else{ /* 13Ca evolution refocused for 1st increment */
decpwrf(rf2);
decrgpulse(pwC2, zero, 2.0e-6, 0.0);
}
} /* H1 dec. and H2 dec. status are not changed through nonCT evolution*/
else { /* 13C CONSTANT TIME EVOLUTION */
decpwrf(rf0);
decpower(pwCgCO_lvl);
if(h1dec[B]=='y') {
if(tau1 - 2.0*pwC1/PI -WFG_START_DELAY -2*POWER_DELAY> 0.0)
delay(tau1 - 2.0*pwC1/PI -WFG_START_DELAY - 2*POWER_DELAY);
decshaped_pulse("CgCO1",pwCgCO,zero,0.0,0.0);
delay(tauC -gt8 -202.0e-6 -pwHd -2.0e-6 -PRG_STOP_DELAY
-pwCgCO -pwC2 -WFG_STOP_DELAY-1/dmf3);
if(dm3[B] == 'y') { /*optional 2H decoupling off */
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
else delay(1/dmf3+WFG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
}
if ((h1dec[B]=='n')&&(dm3[B]=='n')) {
obspower(tpwr);
if(tau1 - 2.0*pwC1/PI -WFG_START_DELAY -3*POWER_DELAY> 0.0) {
delay(tau1 - 2.0*pwC1/PI -WFG3_START_DELAY - 3*POWER_DELAY);
simshaped_pulse("","CgCO1",2.0*pw,pwCgCO,two,zero,0.0,0.0);
}
else simshaped_pulse("","CgCO1",2.0*pw,pwCgCO,two,zero,0.0,0.0);
obspower(tpwrd);
delay(tauC -gt8 -202.0e-6 -pwCgCO -pwC2 -POWER_DELAY);
}
if ((h1dec[B]=='n')&&(dm3[B]=='y')) {
obspower(tpwr);
if(tau1 - 2.0*pwC1/PI - WFG_START_DELAY -3*POWER_DELAY> 0.0) {
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 3*POWER_DELAY);
decshaped_pulse("CgCO1",pwCgCO,zero,0.0,0.0);
}
else decshaped_pulse("CgCO1",pwCgCO,zero,0.0,0.0);
delay(taud-0.5*pwC2-WFG_START_DELAY-WFG_STOP_DELAY-pwCgCO);
rgpulse(2.0*pw,two,0.0,0.0);
obspower(tpwrd);
delay(tauC -taud -gt8 -202e-6 -2.0*pw -POWER_DELAY -1/dmf3
-pwCgCO -pwC2 -WFG_STOP_DELAY);
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6-2*POWER_DELAY);
decpower(pwClvl);decpwrf(rf2);
decrgpulse(pwC2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6-2*POWER_DELAY);
decpower(pwCgCO_lvl);decpwrf(rf0);
if(h1dec[A]=='y'){
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
}
else delay(pwHd+ 2.0e-6 +PRG_START_DELAY);
if(dm3[B] == 'y'){ /*optional 2H decoupling on */
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
else delay(1/dmf3+WFG_START_DELAY);
delay(tauC -tau1 -202.0e-6 -gt8 -pwCgCO -WFG_START_DELAY
-WFG_STOP_DELAY -POWER_DELAY -1/dmf3 -WFG_START_DELAY
-pwHd -2.0e-6 -PRG_START_DELAY);
decshaped_pulse("CgCO2",pwCgCO,zero,0.0,0.0);
} /* END of C13 CONSTANT TIME EVOLUTION */
decphase(one);
decpower(pwClvl);
decpwrf(rf1);
decrgpulse(pwC1, one, 2.0e-6, 0.0);
delay(tauCC - gt5 -202.0e-6 -2.0e-6 -pwHd -PRG_STOP_DELAY
-1/dmf3 -WFG_STOP_DELAY);
if(dm3[B] == 'y') { /*optional 2H decoupling off */
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
else delay(1/dmf3+WFG_STOP_DELAY);
if(h1dec[B]=='y') {
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
}
else delay(2.0e-6+pwHd+PRG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl5*1.33, gt5);
delay(200.0e-6-2.0*POWER_DELAY);
decpwrf(rf2);
decphase(zero);
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl5*1.33,gt5);
delay(200.0e-6-2.0*POWER_DELAY);
decpwrf(rf1);
decphase(t5);
if(h1dec[A]=='y'){
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
}
else delay(pwHd+ 2.0e-6 +PRG_START_DELAY);
if(dm3[B] == 'y'){ /*optional 2H decoupling on */
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
else delay(1/dmf3+WFG_START_DELAY);
delay(tauCC - gt5 -202.0e-6 -1/dmf3 -WFG_START_DELAY -2.0e-6 -pwHd
-PRG_START_DELAY);
/*decrgpulse(pwC1, t5, 0.0, 0.0); */
decrgpulse(pwC1, zero, 0.0, 0.0);
decpwrf(rf5);
decshaped_pulse("offC5", pwC5, one, 0.0, 0.0);
delay(zeta - gt7 -202.0e-6 - pwHd -2.0e-6 -PRG_STOP_DELAY
-1/dmf3 -WFG_STOP_DELAY -0.5*10.933*pwC-2.0e-6);
if(dm3[B] == 'y') { /*optional 2H decoupling off */
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
else delay(1/dmf3+WFG_STOP_DELAY);
if(h1dec[A]=='y') {
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
}
else delay(2.0e-6+pwHd+PRG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf0);
decphase(zero);
delay(200.0e-6-2.0*POWER_DELAY);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(-gzlvl7, gt7);
delay(200.0e-6);
decpwrf(rf5);
decphase(one);
txphase(one);
if(h1dec[A]=='y'){
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
}
else delay(pwHd+ 2.0e-6 +PRG_START_DELAY);
if(dm3[B] == 'y'){ /*optional 2H decoupling on */
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
else delay(1/dmf3+WFG_START_DELAY);
delay(zeta - gt7 - 0.5*10.933*pwC - WFG_START_DELAY-2.0e-6
-1/dmf3 -WFG_START_DELAY -pwHd -2.0e-6 -PRG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC5", pwC5, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
txphase(one);
dcplrphase(zero);
obspower(tpwrd);
if(dm3[B] == 'y') { /*optional 2H decoupling off */
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
if(h1dec[A]=='y') {
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
}
zgradpulse(gzlvl4, gt4);
delay(2.0e-4);
if (TROSY[A]=='n') {
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
}
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf7);
delay(timeTN - tau2);
sim3shaped_pulse("","offC7","",0.0, pwC7, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf5);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC2) ; /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC2-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC2 - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(0.5e-4 - POWER_DELAY);
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC2); /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC2))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(kappa -pwC2 -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC2 ); /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC2-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decrgpulse(pwC2, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl2, gt1/10.0);
else zgradpulse(gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
statusdelay(C,gstab- rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
