void pulsesequence()
{
char pwpat[MAXSTR],p1pat[MAXSTR];
/* equilibrium period */
getstr("pwpat",pwpat);
if (pwpat[0] == '\0')
{
abort_message("no pwpat? ABORT");
}
getstr("p1pat",p1pat);
if (p1pat[0] == '\0')
{
abort_message("no p1pat? ABORT");
}
status(A);
obspower(zero);
decpower(tpwr);
hsdelay(d1);
rcvroff();
status(B);
if (is_y(rfwg[1])) decshaped_pulse(p1pat,p1,zero,rof1,rof2);
else apshaped_decpulse(p1pat,p1,zero,t1,t2,rof1,rof2);
hsdelay(d2);
status(C);
if (is_y(rfwg[1])) decshaped_pulse(pwpat,pw,oph,rof1,rof2);
else apshaped_decpulse(pwpat,pw,oph,t1,t2,rof1,rof2);
}
double dec_c13_shpulse(shape pwxshape, codeint phase)
{
decpower(pwxshape.pwr);
decshaped_pulse(pwxshape.name, pwxshape.pw, phase, 0.0, 0.0);
decpower(getval("pwClvl"));
return(pwxshape.pw + 2.0*POWER_DELAY +WFG_STOP_DELAY + WFG_START_DELAY);
}
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 AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic-angle coherence transfer gradients */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
NH2only[MAXSTR]; /* spectrum of only NH2 groups */
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 */
mix = getval("mix"), /* NOESY mix time */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
csa, sna,
pra = M_PI*getval("pra")/180.0,
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
/* the sech/tanh pulse is automatically calculated by the macro "biocal", */
/* and is called directly from your shapelib. */
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 */
rfst, /* fine power for the stCall pulse */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
dof100, /* C13 frequency at 100ppm for both aliphatic & aromatic*/
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback pulse*/
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gzcal=getval("gzcal"),
gt1 = getval("gt1"), /* coherence pathway gradients */
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"),
gzlvl6 = getval("gzlvl6"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
csa = cos(pra);
sna = sin(pra);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t9,16,phi9);
settable(t10,1,phi10);
settable(t11,8,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0;
rfst=0.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if (C13refoc[A]=='y')
{
ppm = getval("dfrq");
ofs = 0.0;
pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm;
nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
}
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC200.pwrf;
}
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
dof100 = dof + 65.0*dfrq;
/* 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 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( (mix - gt4 - gt5) < 0.0 )
{ text_error("mix is too small. Make mix equal to %f or more.\n",(gt4 + gt5));
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
if (phase2 == 1)
{
tsadd(t10,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 */
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
if(PRexp) /* set up Projection-Reconstruction experiment */
tau1 = d2*csa;
else
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 */
if(PRexp)
tau2 = d2*sna;
else
{
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(t1,2,4);
tsadd(t11,2,4);
}
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* Correct inverted signals for NH2 only spectra */
if (NH2only[A]=='y')
{
tsadd(t3,2,4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decoffset(dof);
decpwrf(rf0);
txphase(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);
txphase(t1);
decphase(zero);
dec2phase(zero);
initval(135.0,v1);
obsstepsize(1.0);
xmtrphase(v1);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* 1H pulse excitation */
xmtrphase(zero); /* SAPS_DELAY */
txphase(zero);
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
if (tau1>0.002)
{
zgradpulse(gzlvl6, 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);
}
else
{
delay(tau1-pwN-0.64*pw);
}
if (C13refoc[A]=='y')
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
else
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
if (tau1>0.002)
{
zgradpulse(-1.0*gzlvl6, 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);
}
else
{
delay(tau1-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 );
rgpulse(pw, zero, 0.0, 0.0);
delay(mix - gt4 - gt5 -gstab -200.0e-6);
dec2rgpulse(pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(gstab);
rgpulse(pw, zero, 200.0e-6,0.0); /* HSQC begins */
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);
txphase(two);
if (tpwrsf<4095.0)
{
obspower(tpwrs+6.0);
obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
obspwrf(4095.0);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
decpwrf(rfst);
decoffset(dof100);
delay(2.0e-4);
dec2rgpulse(pwN, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if (NH2only[A]=='y')
{
delay(tau2);
/* optional sech/tanh pulse in middle of t2 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{ decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw);
}
else
{
delay(tNH - 2.0*pw);
}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau2);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else
{
if ( (C13refoc[A]=='y') && (tau2 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau2 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau2 - 0.5e-3);
delay(gt1 + 2.0e-4);
}
else
{ delay(tau2);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau2);
}
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(one);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - pwN - 0.5*pw - gt5);
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);
}
delay(gstab);
rcvron();
statusdelay(C,1.0e-4-rof1);
setreceiver(t11);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic angle gradient*/
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
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 */
del = getval("del"), /* time delays for CH coupling evolution */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "biocal" */
/* and string parameter stCdec calls them from your shapelib. */
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
bw, ofs, ppm, /* temporary Pbox parameters */
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 */
/* p_d is used to calculate the isotropic mixing on the Cab region */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field strength in Hz */
p_d, /* 50 degree pulse for DIPSI-2 at rfd */
rfd, /* fine power for 7 kHz rf for 500MHz magnet */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "ghcch_tocsy" . SLP pulse shapes, "offC10" etc are called */
/* directly from your shapelib. */
pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */
pwZ, /* the largest of pwC10 and 2.0*pwN */
rf10, /* fine power for the pwC10 ("offC10") pulse */
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 */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
strcpy(stCdec, "stCdec80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
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 flags */
if (autocal[0] == 'n')
{
/* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
pwC10 = getval("pwC10");
rf10 = (compC*4095.0*pwC*2.0*1.65)/pwC10; /* needs 1.65 times more */
rf10 = (int) (rf10 + 0.5); /* power than a square pulse */
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = 139.0*ppm;
offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if(dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rf10 = offC10.pwrf; pwC10 = offC10.pw;
}
/* dipsi-3 decoupling on CbCa */
p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 Field Strength */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 1.0e-4)
{
printf(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 1.0e-4));
psg_abort(1);
}
if( dm[A] == 'y' )
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! Should be 'nnn' or 'nyn' ");
psg_abort(1);
}
if( dpwr > 52 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* 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;
/* 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(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if ( dm3[B] == 'y' )
lk_sample();
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*/
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(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-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(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(icosel1*gzcal*gzlvl1,0.1*gt1);
}
else
{
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
}
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rf10);
delay(tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC10", "", 2.0*pw, pwC10, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if(pwC10>2.0*pwN) pwZ=0.0; else pwZ=2.0*pwN - pwC10;
delay(tau2);
decpwrf(rf0);
if (mag_flg[A] == 'y')
{
magradpulse(-icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
}
delay(2.02e-4);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rf10);
if (mag_flg[A] == 'y')
{
magradpulse(icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
}
delay(2.0e-4 + WFG3_START_DELAY + pwZ);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
decpwrf(rf0);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
rcvron();
if ((STUD[A]=='n') && (dm[C] == 'y'))
decpower(dpwr);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(0.5*del-40.0e-6 -gt1 -1/dmf3);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
lk_sample();
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
else
{
delay(0.5*del-40.0e-6 -gt1);
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
setreceiver(t11);
}
void pulsesequence()
{
double tpwr180r = getval("tpwr180r"),
pw180r = getval("pw180r"),
pwx180 = getval("dnbippw"),
pwxlvl180 = getval("dnbippwr"),
pp = getval("pp"),
pplvl = getval("pplvl"),
tauC = getval("tauC"),
tau;
int prgcycle=(int)(getval("prgcycle")+0.5);
char pw180ref[MAXSTR],
dnbipshp[MAXSTR],
bipflg[MAXSTR];
getstr("pw180ref", pw180ref);
getstr("dnbipshp", dnbipshp);
getstr("bipflg",bipflg);
tau = 1.0 / (2.0 * (getval("j1xh")));
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && getflag("satmode") && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1,4,phs1);
settable(t2,8,phs2);
settable(t3,4,phs3);
getelem(t1,v17,v1);
getelem(t2,v17,v2);
getelem(t3,v17,v3);
assign(v1,oph);
add(oph,v18,oph);
add(oph,v19,oph);
if (getflag("prgflg") && getflag("satmode"))
assign(v3,v2);
/* equilibrium period */
status(A);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (getflag("satmode"))
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,v2);
if (getflag("prgflg"))
shaped_purge(v1,v2,v18,v19);
}
else
{
satpulse(satdly,v2,rof1,rof1);
if (getflag("prgflg"))
purge(v1,v2,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
obspower(tpwr);
if (bipflg[1] == 'y')
decpower(pwxlvl180);
else
decpower(pplvl);
rgpulse(pw,v1,rof1,rof1);
if (bipflg[1] == 'y')
{
decshaped_pulse(dnbipshp,pwx180,zero,2.0e-6,2.0e-6);
delay(tau+tauC);
}
else
{
decrgpulse(2*pp,zero,2.0e-6,2.0e-6);
delay(tau);
}
obspower(tpwr180r);
shaped_pulse(pw180ref,pw180r,v1,rof1,rof1);
if (bipflg[1] == 'y')
{
decshaped_pulse(dnbipshp,pwx180,zero,2.0e-6,2.0e-6);
delay(tau+tauC);
}
else
{
decrgpulse(2*pp,zero,2.0e-6,2.0e-6);
delay(tau);
}
shaped_pulse(pw180ref,pw180r,v1,rof1,rof2);
decpower(dpwr);
obspower(tpwr);
status(C);
}
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 */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
spca180[MAXSTR], /* string for the waveform Ca 180 */
spco180[MAXSTR], /* string for the waveform Co 180 */
spchirp[MAXSTR], /* string for the waveform reburp 180 */
ddseq[MAXSTR], /* 2H decoupling seqfile */
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 */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for c nucleus @ d_c90 */
pwc180on, /* PW180 at @ d_c180 */
pwchirp, /* PW180 for ca 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 */
d_chirp,
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 */
pwDlvl, /* Power for D decoupling */
pwD, /* pw90 at pwDlvl */
pwC, pwClvl, /* C-13 calibration */
compC,
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,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
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");
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");
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");
if(autocal[0]=='n')
{
getstr("spca180",spca180);
getstr("spco180",spco180);
getstr("spchirp",spchirp);
pwc90 = getval("pwc90");
pwc180on = getval("pwc180on");
pwc180off = getval("pwc180off");
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
pwchirp = getval("pwchirp");
d_chirp = getval("d_chirp");
}
else
{
strcpy(spca180,"Phard180ca");
strcpy(spco180,"Phard180co");
strcpy(spchirp,"Pchirp180");
if (FIRST_FID)
{
pwC = getval("pwC");
compC = getval("compC");
pwClvl = getval("pwClvl");
co90 = pbox("cal", CO90, CO180ps, dfrq, pwC*compC, pwClvl);
co180 = pbox("cal", CO180, CO180ps, dfrq, pwC*compC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, pwC*compC, pwClvl);
co180a = pbox(spco180, CO180a, CA180ps, dfrq, pwC*compC, pwClvl);
chirp = pbox(spchirp, CHIRP, CHIRPps, dfrq, pwC*compC, pwClvl);
}
pwc90 = co90.pw; d_c90 = co90.pwr;
pwc180on = co180.pw; d_c180 = co180.pwr;
pwc180off = ca180.pw;
pwchirp = chirp.pw; d_chirp = chirp.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( bigTN - (ni3-1)*0.5/sw3 - WFG3_START_DELAY < 0.2e-6 )
{
text_error(" ni3 is too big\n");
text_error(" please set ni3 smaller or equal to %d\n",
(int) ((bigTN -WFG3_START_DELAY)*sw3*2.0) +1 );
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)
{
text_error("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
if((fca180[A] == 'y') && (ni2 > 1))
{
text_error("must set fca180='n' to allow Calfa evolution (ni2>1)\n");
psg_abort(1);
}
if((fco180[A] == 'y') && (ni > 1))
{
text_error("must set fco180='n' to allow CO evolution (ni>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)) {
if (pwc180off > 2.0*pwN)
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
else
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
if(tau1 < 0.2e-6) {
tau1 = 0.4e-6;
text_error("tau1 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau1 = tau1 - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
else
tau1 = tau1 - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
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 (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 - 4.0e-6);
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 - 4.0e-6);
if(tau2 < 0.2e-6) {
tau2 = 0.4e-6;
text_error("tau2 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6;
else
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6;
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_chirp); /* 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 );
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_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(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);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* t1 period for Co evolution begins */
if (fco180[A]=='n')
{
decpower(d_c180);
delay(tau1);
sim3shaped_pulse("",spca180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau1);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t1 period for Co evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(150.0e-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 */
decrgpulse(pwc90,t5,2.0e-6,0.0);
/* t2 period for Ca evolution begins */
if (fca180[A]=='n')
{
decphase(zero); dec2phase(zero);
decpower(d_c180);
delay(tau2);
sim3shaped_pulse("",spco180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau2);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t2 period for Ca evolution ends */
decrgpulse(pwc90,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 */
decoffset(dof); /* set carrier back to Co */
decpower(d_chirp);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(150.0e-6);
/* t3 period begins */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - WFG_START_DELAY - pwchirp - WFG_STOP_DELAY
-gt1 -500.2e-6 -2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
/* t3 period ends */
decpower(d_c90);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq);
decrgpulse(pwc90,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 - pwc90 - 20.0e-6 - pwc90 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
decoffset(dof);
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()
{
char codec[MAXSTR], codecseq[MAXSTR];
int icosel, t1_counter;
double d2_init = 0.0,
rf0 = 4095, rf200, pw200,
copwr, codmf, cores, copwrf,
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
compC = getval("compC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
sw1 = getval("sw1"),
swH = getval("swH"),
swC = getval("swC"),
swN = getval("swN"),
swTilt,
angle_H = getval("angle_H"),
angle_C = getval("angle_C"),
angle_N,
cos_H,
cos_C,
cos_N,
mix = getval("mix"),
tauCH = getval("tauCH"), /* 1/4JCH */
tauNH = getval("tauNH"), /* 1/4JNH */
tau1, tau2, tau3,
tofali =getval("tofali"), /* aliphatic protons offset */
dofcaco =getval("dofcaco"), /* offset for caco decoupling, ~120 ppm */
dof = getval("dof"),
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");
/* LOAD VARIABLES */
copwr = getval("copwr"); copwrf = getval("copwrf");
codmf = getval("codmf"); cores = getval("cores");
getstr("codecseq", codecseq); getstr("codec", codec);
/* Load phase cycling variables */
settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 1, phi3);
settable(t4, 8, phi4); settable(t5, 1, phi5); settable(t14, 2, phi14);
settable(t11, 8, rec);
angle_N=0.0; cos_N=0.0;
/* activate auto-calibration flags */
setautocal();
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
pw200 = getval("pw200");
rf200 = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rf200 = (int) (rf200 + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1); }
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(codecseq,"Pdec_154p");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000;
/* 1 ms long pulse, nst: number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
bw=20.0*ppm; ofs=154*ppm;
Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl);
}
rf200 = stC200.pwrf; pw200 = stC200.pw;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
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! "); psg_abort(1); }
if ((dpwr > 48) || (dpwr2 > 48))
{ printf("don't fry the probe, dpwr too high! "); psg_abort(1); }
/* set up angles for PR42 experiments */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_H < 0 || angle_C < 0 || angle_H > 90 || angle_C > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180); cos_C = cos (PI*angle_C/180);
if ( (cos_H*cos_H + cos_C*cos_C) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_N = sqrt(1 - (cos_H*cos_H + cos_C*cos_C) ); angle_N = acos(cos_N)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); }
swTilt = swH*cos_H + swC*cos_C + swN*cos_N;
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t1, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t2, 1, 4); tsadd(t14,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1, 1, 4); tsadd(t2,1,4); tsadd(t14,1,4); } /* SS */
if ( phase2 == 1 ) { tsadd(t5,2,4); icosel = 1; }
else icosel = -1;
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau3 = 1.0 * t1_counter * cos_N / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 =tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_H: %5.2f \n", angle_H);
printf ("Angle_C: %5.2f \n", angle_C);
printf ("Angle_N: %5.2f \n", angle_N);
printf ("\n\n\n\n\n");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tofali); obspower(tpwr); obspwrf(4095.0);
decoffset(dof); decpower(pwClvl); decpwrf(rf0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,10.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
}
txphase(t1); decphase(t2); dec2phase(zero);
status(B);
rgpulse(pw,t1,4.0e-6,2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(2.0*tauCH - gt3 - 2.0*GRADIENT_DELAY -4.0e-6);
decrgpulse(pwC,t2,2.0e-6,2.0e-6);
decphase(zero);
/*======= Start of c13 evolution ==========*/
if ( ((tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6)> 0)
&& ((tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6)>0)
&& (codec[A] == 'y') )
{
decpower(copwr); decpwrf(copwrf);
decprgon(codecseq,1/codmf,cores);
decon();
delay(tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6);
decoff();
decprgoff();
}
else if ( (tau2 -pwN - 2.0*pwC/PI -2.0e-6) > 0)
{
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
}
else
{
delay(2.0*tau2);
decphase(t14);
delay(4.0e-6);
sim3pulse(2.0*pw, 2.0*pwC, 2.0*pwN, t1, t14, zero, 0.0, 0.0);
delay(4.0e-6);
}
decpower(pwClvl);
decpwrf(rf0);
decphase(zero);
/*======= End of c13 evolution ==========*/
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(2.0*tauCH + tau1 - gt3 - 4.0*pwC
- gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
/* ===========Beginning of NOE transfer ======= */
delay(mix - gt4 - gt5 - pwN -pwC - 2.0*gstab);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(gstab);
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
/* H2O relaxes back to +z */
/* =========== End of NOE transfer ======= */
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(tauNH - gt6 - 4.0e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt6 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(gstab);
rgpulse(pw,one,2.0e-6,2.0e-6);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco); /* offset on 120ppm for CaCO decoupling */
decpwrf(rf200); /* fine power for stC200 */
delay(gstab);
dec2rgpulse(pwN,t3,2.0e-6,2.0e-6);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
decshaped_pulse("stC200", 1.0e-3, zero, 2.0e-6, 2.0e-6);
delay(tau3);
delay(gt1 +gstab +8.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 2.0e-6, 2.0e-6);
dec2phase(t5);
zgradpulse(gzlvl1, gt1);
delay(gstab + WFG_START_DELAY + WFG_STOP_DELAY - 2.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 2.0e-6, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(tauNH - gt8 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt8 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(one);
delay(gstab);
sim3pulse(pw, 0.0, pwN, one, zero, one, 2.0e-6, 2.0e-6);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -gstab -4.0e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
delay((gt1/10.0) +gstab -2.0e-6 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
char f1180[MAXSTR],
f2180[MAXSTR],
f3180[MAXSTR],
mag_flg[MAXSTR];
int phase, icosel,
t1_counter,
t2_counter,
t3_counter;
double pwClvl,
pwC,
rf0 = 4095,
rfst,
compC = getval("compC"),
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwNlvl,
pwN,
tau1,
tau2,
tau3,
tauch, /* 3.4 ms */
taunh, /* 2.4 ms */
mix,
tofh,
dofcaco, /* ~120 ppm */
gt0, gzlvl0,
gt1,gzlvl1,
gzlvl2,
gzcal = getval("gzcal"),
gstab = getval("gstab"),
gt3,gzlvl3,
gt4,gzlvl4,
gt5,gzlvl5,
gt6,gzlvl6,
gt7,gzlvl7,
gt8, gzlvl8,
gt9, gzlvl9;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("mag_flg", mag_flg);
pwClvl = getval("pwClvl");
pwC = getval("pwC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
mix = getval("mix");
tauch = getval("tauch");
taunh = getval("taunh");
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
phase = (int) (getval("phase") + 0.5);
phase2 = (int) (getval("phase2") + 0.5);
phase3 = (int) (getval("phase3") + 0.5);
gt0 = getval("gt0");
gt1 = getval("gt1");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gzlvl0 = getval("gzlvl0");
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");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
tofh = getval("tofh");
dofcaco = getval("dofcaco"); /* ~120 ppm */
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{
text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
ofs = getval("tof") - 1.75*getval("sfrq");
pws = getval("dof") + 85.0*ppm;
}
rfst = stC200.pwrf;
tofh = ofs;
dofcaco = pws;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[C] == '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 ((dpwr > 50) || (dpwr2 > 50))
{
printf("don't fry the probe, dpwr too high! ");
psg_abort(1);
}
/* Load phase cycling variables */
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 1, phi3);
settable(t4, 8, phi4);
settable(t5, 1, phi5);
settable(t11, 8, rec_1);
/* Phase incrementation for hypercomplex data */
if ( phase == 2 )
{
tsadd(t1,1,4);
}
if ( phase2 == 2 )
{
tsadd(t2,1,4);
}
if ( phase3 == 1 )
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* calculate modification to phases based on current t2 values
to achieve 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(t11,2,4);
}
if(ix == 1) d3_init = d3;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if(t2_counter % 2)
{
tsadd(t2,2,4);
tsadd(t11,2,4);
}
if(ix == 1) d4_init = d4;
t3_counter = (int)((d4-d4_init)*sw3 + 0.5);
if(t3_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* set up so that get (90, -180) phase corrects in F1 if f1180 flag is 'y' */
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 so that get (90, -180) phase corrects in F2 if f2180 flag is 'y' */
tau2 = d3 - (4.0*pwC/PI + 2.0*pw + 2.0e-6);
if (dm[B] == 'y')
{
tau2 = tau2 - (2.0*POWER_DELAY + PRG_START_DELAY + PRG_STOP_DELAY);
}
if(f2180[A] == 'y')
{
tau2 += (1.0/(2.0*sw2));
}
if (tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/2.0;
/* set up so that get (90, -180) phase corrects in F3 if f3180 flag is 'y' */
tau3 = d4;
if(f3180[A] == 'y')
{
tau3 += (1.0/(2.0*sw3));
}
if (tau3 < 0.2e-6) tau3 = 0.0;
tau3 = tau3/2.0;
initval(315.0, v7);
obsstepsize(1.0);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(10.0e-6);
obspower(tpwr);
decpower(pwClvl);
decpwrf(rf0);
dec2power(pwNlvl);
obsoffset(tofh);
decoffset(dof);
dec2offset(dof2);
txphase(t1);
xmtrphase(v7);
delay(d1);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,2.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
zgradpulse(gzlvl0,gt0);
delay(1.0e-3);
}
decphase(t2);
rgpulse(pw,t1,2.0e-6,0.0);
xmtrphase(zero);
zgradpulse(gzlvl3,gt3);
delay(tauch - gt3);
decrgpulse(pwC,t2,2.0e-6,0.0);
status(B);
decpower(dpwr);
delay(tau2);
rgpulse(2.0*pw,t1,0.0,0.0);
decphase(zero);
if (tau2 > 2.0*pwN)
{
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau2 - 2.0*pwN);
}
else
delay(tau2);
status(A);
decpower(pwClvl);
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(tauch + tau1 + SAPS_DELAY - gt3 - 4.0*pwC - 500.0e-6);
zgradpulse(gzlvl3,gt3);
delay(500.0e-6);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,0.0,0.0);
delay(mix - gt4 - gt5 - pwN - 2.0e-3);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(1.0e-3);
sim3pulse((double)0.0,pwC,pwN,zero,zero,zero,0.0,2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(1.0e-3);
rgpulse(pw,zero,0.0,2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(taunh - gt6 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(taunh - gt6 - 500.0e-6);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(500.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco);
decpwrf(rfst);
delay(200.0e-6);
dec2rgpulse(pwN,t3,0.0,0.0);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tau3);
delay(gt1 + 202.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 0.0, 2.0e-6);
dec2phase(t5);
if(mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(4.0*GRADIENT_DELAY);
}
delay(200.0e-6 + WFG_START_DELAY + WFG_STOP_DELAY - 6.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 0.0, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(taunh - gt8);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(taunh - gt8 - 400.0e-6);
zgradpulse(gzlvl8, gt8);
txphase(one);
dec2phase(one);
delay(400.0e-6);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(taunh - gt9);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl9, gt9);
delay(taunh - gt9);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + gstab - 0.5*pw + 6.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if(mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
delay(4.0*GRADIENT_DELAY);
}
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
char CT_flg[MAXSTR], /* Constant time flag */
shname1[MAXSTR],
shname2[MAXSTR],
shname3[MAXSTR],
f1180[MAXSTR],
Cdecflg[MAXSTR],
Cdecseq[MAXSTR],
grad_flg[MAXSTR]; /*gradient flag */
int t1_counter,
phase;
double d2_init=0.0,
adjust = getval("adjust"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
shlvl1 = getval("shlvl1"),
shlvl2 = getval("shlvl2"),
shlvl3 = getval("shlvl3"),
shdmf2 = getval("shdmf2"),
shpw1 = getval("shpw1"),
shpw2 = getval("shpw2"),
shpw3 = getval("shpw3"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
dpwr = getval("dpwr"),
CT_delay = getval("CT_delay"),
d2 = getval("d2"),
tau1 = getval("tau1"),
tauch = getval("tauch");
getstr("shname1", shname1);
getstr("shname2", shname2);
getstr("shname3", shname3);
getstr("CT_flg", CT_flg);
getstr("grad_flg",grad_flg);
getstr("f1180",f1180);
getstr("Cdecflg",Cdecflg);
getstr("Cdecseq",Cdecseq);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,2,phi2);
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
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;
if (f1180[0] == 'y') tau1 = tau1-pwC*4.0/3.0;
if(CT_flg[0] == 'y')
{
if ( (ni/sw1) > (CT_delay-pwC*8.0/3.0))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)((CT_delay-pwC*8.0/3.0)*sw1)) ); 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(t2,2,4); }
status(A);
decpower(pwClvl);
decoffset(dof);
obsoffset(tof);
zgradpulse(gzlvl2, gt2);
lk_sample();
delay(1.0e-4);
delay(d1-gt2);
if (ix < (int)(2.0*ni)) lk_hold(); /*force lock sampling at end of experiment*/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
if (ni == 0)
{
delay(tauch-gt1-1.0e-4-WFG_START_DELAY+pwC*4.0-adjust);
obspower(shlvl2);
shaped_pulse(shname2,shpw2,zero,2.0e-6,2.0e-6);
obspower(shlvl1);
decrgpulse(pwC,t1,0.0,0.0);
decrgpulse(pwC*2.0,zero,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
delay(tauch-gt1-1.0e-4-adjust);
obspower(shlvl2);
status(B);
if(CT_flg[0] == 'y')
{
/*************************************************/
/**** CT EVOLUTION **********/
/*************************************************/
decrgpulse(pwC,t1,0.0,0.0);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decpower(shlvl3);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
shapedpulse(shname2,shpw2,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
decpower(pwClvl);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
/*************************************************/
/**** REAL-TIME EVOLUTION **********/
/*************************************************/
if ((tau1) > shpw2)
{
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
}
delay((tau1-shpw2)*0.5);
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay(shpw2);
obsprgoff();
obsblank();
xmtroff();
delay((tau1-shpw2)*0.5);
if(Cdecflg[0] == 'y')
{
decoff(); decprgoff();
decpower(pwClvl);
}
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
delay(tau1);
decoff(); decprgoff();
decpower(pwClvl);
}
else
delay(tau1);
decrgpulse(pwC,zero,0.0,0.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
obsprgoff();
obsblank();
xmtroff();
}
}
obspower(shlvl1);
status(A);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay(tauch-gt1-1.0e-4-POWER_DELAY);
decpower(dpwr);
status(C);
setreceiver(t2);
}
}
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()
{
double tau, rg1 = 2.0e-6,
jXH = getval("jXH"),
mult = getval("mult"),
gt0 = getval("gt0"),
gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"),
gzlvl3 = getval("gzlvl3"),
Gratio = getval("Gratio"),
gstab = getval("gstab"),
compH = getval("compH"),
compX = getval("compX"),
Hpwr = getval("Hpwr"),
jevol = 0.25 / 140.0; /* default for C-13 */
char pshape[MAXSTR], zz[MAXSTR], ad180[MAXSTR], sspul[MAXSTR];
shape hdx; /* HADAMARD stuff */
void setphases();
getstr("pshape", pshape); /* pulse shape as in wavelib */
getstr("sspul", sspul);
getstr("zz", zz);
getstr("ad180", ad180);
if (jXH > 0.0) jevol = 0.25 / jXH;
tau = gt3 + gstab;
if (mult > 0.5)
tau = 2*jevol;
setphases();
/* MAKE PBOX SHAPES */
if (FIRST_FID)
{
ad180sh = pbox_ad180("ad180", pwx, pwxlvl); /* make adiabatic 180 */
if (strcmp(pwpat,"Hdec") == 0)
{
/* make H decoupling shape */
Hdec = pboxHT_dec(pwpat, pshape, jXH, 20.0, pw, compH, tpwr);
Hpwr = Hdec.pwr;
}
}
hdx = pboxHT_F1i(pshape, pwx*compX, pwxlvl); /* HADAMARD stuff */
if (getval("htcal1") > 0.5) /* enable manual power calibration */
hdx.pwr += getval("htpwr1");
/* THE PULSE PROGRAMM STARTS HERE */
status(A);
delay(5.0e-5);
zgradpulse(gzlvl0,gt0);
if (sspul[0] == 'y')
{
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
pre_sat();
if (getflag("wet"))
wet4(zero,one);
decoffset(dof);
decpower(pwxlvl);
obspower(tpwr);
obsoffset(tof);
delay(2.0e-5);
status(B);
rgpulse(pw, v2, rg1, rg1);
delay(jevol - ad180sh.pw/2.0 - 3.0*rg1); /* +rg on both sides */
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
rgpulse(2.0*pw, zero, rg1, rg1);
delay(jevol + ad180sh.pw/2.0 - rg1);
rgpulse(pw, one, rg1, rg1);
zgradpulse(-gzlvl2, gt2);
delay(gstab);
decpower(hdx.pwr);
if (strcmp(pwpat,"") == 0)
decshaped_pulse(hdx.name, hdx.pw, zero, rg1, rg1);
else
{
obspower(Hpwr);
simshaped_pulse(pwpat, hdx.name, hdx.pw, hdx.pw, zero, zero, rg1, rg1);
}
zgradpulse(gzlvl2*1.4, gt2);
decpower(pwxlvl); obspower(tpwr);
if((zz[A] == 'y') && (mult == 0))
{
ifzero(v1);
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
elsenz(v1);
delay(0.5e-3);
endif(v1);
}
else
{
delay(0.5e-3);
decrgpulse(pwx,v1,rg1,rg1);
if(ad180[A]=='y')
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
if(zz[A] == 'y')
delay(tau);
else
{
zgradpulse(gzlvl1,gt1);
delay(tau - gt1 - 2*GRADIENT_DELAY);
}
if(ad180[A]=='y')
{
rgpulse(mult*pw, zero, rg1, rg1);
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
}
else
simpulse(mult*pw,2*pwx,zero,one,rg1,rg1);
delay(tau);
decrgpulse(pwx,zero,rg1,rg1);
}
zgradpulse(gzlvl2/1.7, gt2);
delay(gstab);
rgpulse(pw, zero, rg1, rg1);
delay(jevol - ad180sh.pw/2.0 - 3.0*rg1); /* +rg on both sides */
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
rgpulse(2.0*pw, zero, rg1, rg1);
if(zz[A] == 'y')
{
delay(jevol + ad180sh.pw/2.0 - rg1);
rgpulse(pw, one, rg1, rg1);
zgradpulse(-gzlvl3, gt3);
decpower(dpwr);
delay(gstab);
rgpulse(pw, three, rg1, rof2);
}
else
{
zgradpulse(2.0*gzlvl1/Gratio, gt1/2.0);
decpower(dpwr);
delay(jevol + ad180sh.pw/2.0 - rg1 - gt1/2.0 - 2*GRADIENT_DELAY - POWER_DELAY + rof2);
}
status(C);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char
f1180[MAXSTR],satmode[MAXSTR],abfilter[MAXSTR];
int phase,t1_counter,icosel,ni,first_FID;
double /* DELAYS */
tauhn,
taunco,
tau1, /* t1/2 */
/* COUPLINGS */
jhn = getval("jhn"),
jnco = getval("jnco"),
/* PULSES */
pw180offca = getval("pw180offca"), /* PW180 for off-res ca nucleus @ rf180offca */
pw90onco, /* PW90 for on-res co nucleus @ rf90onco */
pw180onco, /* PW180 for on-res co nucleus @ rf90onco */
pwN = getval("pwN"), /* PW90 for N-nuc */
pwC = getval("pwC"), /* PW90 for C-nuc */
pwHs = getval("pwHs"), /* pw for water selective pulse */
/* POWER LEVELS */
satpwr = getval("satpwr"), /* low power level for presat */
pwClvl = getval("pwClvl"), /* power level for C hard pulses */
pwNlvl = getval("pwNlvl"), /* power level for N hard pulses */
rf90onco, /* power level for CO 90 pulses */
rf180onco, /* power level for CO 180 pulses */
rf180offca, /* power level for off-res Ca 180 pulses */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
/* CONSTANTS */
sw1 = getval("sw1"),
dof = getval("dof"),
kappa,
dofca,
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power adustment for first soft pulse*/
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
/* GRADIENT DELAYS AND LEVES */
gstab = getval("gstab"),
gt0 = getval("gt0"), /* gradient time */
gt1 = getval("gt1"), /* gradient time */
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"), /* level of gradient */
gzlvl1 = getval("gzlvl1"), /* level of gradient */
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5");
/* 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 */
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf180offca = (compC*4095.0*pwC*2.0)/pw180offca;
rf180offca = (int) (rf180offca + 0.5);
/* LOAD VARIABLES */
ni = getval("ni");
phase = (int) (getval("phase") + 0.5);
getstr("satmode",satmode);
getstr("f1180",f1180);
getstr("abfilter",abfilter);
/* check validity of parameter range */
if (dm[A] == 'y')
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if (dm2[A] == 'y')
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if ( satpwr > 8 )
{
printf("satpwr 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);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 1, phi4);
settable(t5, 4, phi5);
settable(t7, 4, phi7);
/* INITIALIZE VARIABLES AND POWER LEVELS FOR PULSES */
tauhn = 1/(4.0*95.0); /* initialize */
taunco = 1/(4.0*15.0); /* initialize */
tauhn = ((jhn != 0.0) ? 1/(4*(jhn)) : 2.25e-3);
taunco = ((jnco !=0.0) ? 1/(4*(jnco)) : 16.6e-3);
kappa=(gt1 +gstab + (4.0/PI)*pwN + WFG_START_DELAY + pw180offca)/(0.5*ni/sw1)-0.001;
if (kappa > 1.0)
{
kappa=1.0-0.01;
}
if (ix == 1)
printf("semi-constant-time factor %4.6f\n",kappa);
dofca = dof - 118.0*dfrq;
if((getval("arraydim") < 1.5) || (ix==1))
first_FID = 1;
else
first_FID = 0;
/* 90 degree pulse on CO, null at Ca 118ppm away */
pw90onco = sqrt(15.0)/(4.0*118.0*dfrq);
rf90onco = (compC*4095.0*pwC)/pw90onco;
rf90onco = (int) (rf90onco + 0.5);
if(rf90onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw90onco -> rf90onco (%.0f)\n", rf90onco);
rf90onco = 4095.0;
pw90onco = pwC;
}
/* 180 degree pulse on CO, null at Ca 118ppm away */
pw180onco = sqrt(3.0)/(2.0*118.0*dfrq);
rf180onco = (compC*4095.0*pwC*2.0)/pw180onco;
rf180onco = (int) (rf180onco + 0.5);
if(rf180onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw180onco -> rf180onco (%.0f)\n", rf180onco);
rf180onco = 4095.0;
pw180onco = pwC*2.0;
}
pw180offca = pw180onco; rf180offca = rf180onco;
/* Phase incrementation for hypercomplex data */
if (phase == 1) /* Hypercomplex in t2 */
{
icosel = 1;
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
}
else icosel = -1;
/* calculate modification to phases based on current t1 values
to achieve 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(t7, 2, 4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (f1180[A] == 'y') tau1 += ( 1.0/(2.0*sw1));
tau1 = tau1/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set decoupler1 power to pwClvl */
decpwrf(rf180onco);
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
obsoffset(tof);
decoffset(dof);
dec2offset(dof2);
/* Presaturation Period */
if (satmode[0] == 'y')
{
rgpulse(d1,zero,rof1,rof1);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
if (tpwrsf_d<4095.0) tpwrs=tpwrs+6.0; /* allow for fine power control via tpwrsf_d */
rcvroff();
dec2phase(zero);
obspwrf(tpwrsf_d); obspower(tpwrs);
shaped_pulse("H2Osinc_d", pwHs, one, rof1, rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,zero,rof1,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab); /* delay for 1/4JHN coupling */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt0 - gstab); /* delay for 1/4JHN coupling */
zgradpulse(gzlvl0,gt0);
delay(gstab -rof1);
dec2phase(zero);
rgpulse(pw,three,rof1,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
if (abfilter[0] == 'b')
{
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
sim3pulse(0.0*pw,0.0*pw180onco,0.0,zero,zero,zero,rof1,rof1);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
zgradpulse(gzlvl5*1.2,gt5);
dec2phase(t4);
delay(gstab);
sim3pulse(0.0,pw180onco,2.0*pwN,zero,zero,t4,rof1,rof1);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
sim3pulse(0.0*pw,0.0*pw180onco,0.0,zero,zero,zero,rof1,rof1);
delay(0.5*taunco - gt5 - gstab - POWER_DELAY); /* 1/8J(NCO) */
decpwrf(rf180offca);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
dec2phase(one);
dec2rgpulse(pwN,one,0.0,0.0); /* purge for 15N */
}
if (abfilter[0] == 'a')
{
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
sim3pulse(0.0*pw,pw180onco,0.0,zero,zero,zero,rof1,rof1); /* 180 CO */
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
zgradpulse(gzlvl5*1.2,gt5);
dec2phase(t4);
delay(gstab);
sim3pulse(0.0,0.0,2.0*pwN,zero,zero,t4,rof1,rof1); /* 180 15N */
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
sim3pulse(0.0*pw,pw180onco,0.0,zero,zero,zero,rof1,rof1); /* 180 CO */
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco - POWER_DELAY); /* 1/8J(NCO) */
decpwrf(rf180offca);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
decphase(t5);
dec2phase(zero);
dec2rgpulse(pwN,zero,0.0,0.0); /* purge for 15N */
}
zgradpulse(gzlvl3*1.3,gt3);
delay(gstab);
dec2rgpulse(pwN,t1,0.0,0.0); /* read for 15N */
delay(tau1);
decshaped_pulse("offC3",pw180offca,t5,0.0,0.0);
delay((1-kappa)*tau1);
zgradpulse(gzlvl1,gt1);
delay(gstab);
dec2phase(zero);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(gt1 + gstab + (4.0/PI)*pwN + WFG_START_DELAY + pw180offca - kappa*tau1);
sim3pulse(pw,0.0,0.0,t2,zero,zero,rof1,rof1); /* Pulse for 1H */
zgradpulse(gzlvl5,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab); /* delay=1/4J (NH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
txphase(zero);
dec2phase(zero);
delay(tauhn - gt5 - gstab); /* 1/4J (NH) */
zgradpulse(gzlvl5,gt5);
delay(gstab);
txphase(one);
sim3pulse(pw,0.0,pwN,one,zero,zero,rof1,rof1); /* 90 for 1H and 15N */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u", pwHs, t2, rof1, 0.0);
obspower(tpwr); obspwrf(4095.0);
dec2phase(zero);
zgradpulse(gzlvl5*0.8,gt5);
delay(gstab);
delay(tauhn -gt5 -gstab -2.0*POWER_DELAY -pwHs -WFG_START_DELAY); /* delay=1/4J (NH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
txphase(zero);
dec2phase(t3);
delay(tauhn - gt5 - gstab - 2.0*POWER_DELAY); /* 1/4J (NH) */
zgradpulse(gzlvl5*0.8,gt5);
delay(gstab);
dec2rgpulse(pwN,t3,0.0,0.0);
decpower(dpwr);
dec2power(dpwr2);
delay((gt1/10.0) + gstab - 2.0*POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl2*icosel,gt1*0.1);
delay(gstab);
/* acquire data */
setreceiver(t7);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
CT[MAXSTR],
refocN15[MAXSTR],
refocCO[MAXSTR], COshape[MAXSTR],
C180shape[MAXSTR];
int t1_counter,icosel; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tauch = getval("tauch"), /* 1/4J evolution delay */
tauch1 = getval("tauch1"), /* 1/4J or 1/8JC13H evolution delay */
timeCC = getval("timeCC"), /* 13C constant-time if needed*/
corrD, corrB, /* small correction delays */
dof_dec = getval("dof_dec"), /*decoupler offset for decoupling during acq - folding */
pwClvl = getval("pwClvl"), /* power for hard C13 pulses */
pwC180lvl = getval("pwC180lvl"), /*power levels for 180 shaped pulse */
pwC180lvlF = getval("pwC180lvlF"),
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwC180 = getval("pwC180"), /* shaped 180 pulse on C13channl */
sw1 = getval("sw1"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
pwCOlvl = getval("pwCOlvl"),
pwCO = getval("pwCO"),
gstab = getval("gstab"),
gstab1 = getval("gstab1"), /* recovery for club sandwitch, short*/
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"), /* other gradients */
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt9 = getval("gt9"),
gzlvl0 = getval("gzlvl0"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl9 = getval("gzlvl9");
getstr("f1180",f1180);
getstr("C180shape",C180shape);
getstr("COshape",COshape);
getstr("refocCO",refocCO);
getstr("refocN15",refocN15);
getstr("CT",CT);
/* LOAD PHASE TABLE */
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t10,1,phix);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
/* CHECK VALIDITY OF PARAMETER RANGES */
/* like in olde good times */
if((dm[A] == 'y' || dm[B] == 'y'))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if((dm2[A] != 'n' || dm2[B] != 'n' || dm2[C] != 'n'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( dpwr2 > 45 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr > 50 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( (pw > 30.0e-6) )
{
text_error("don't fry the probe, pw too high ! ");
psg_abort(1);
}
if( (pwC > 200.0e-6) )
{
text_error("don't fry the probe, pwC too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-TPPI-Haberkorn element */
if (phase1 == 1) {
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(t11,2,4);
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 0.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
if(CT[A]=='y') {
refocN15[A]='y';
refocCO[A]='y';
if ( (timeCC-ni/sw1*0.5)*0.5 -pw -pwCO*0.5 -pwN-rof1 <0.2e-6 )
{
text_error("too many increments in t1 for a constant time");
psg_abort(1);
}
}
/*temporary*/
/* correction delays */
corrB=0.0;
corrD=2.0/M_PI*pwC-pw-rof1;
if (corrD < 0.0) {
corrB=-corrD;
corrD=0.0;
}
/* BEGIN PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
decoffset(dof);
obspwrf(4095.0);
delay(d1);
txphase(zero);
decphase(zero);
decrgpulse(pwC, zero, rof1, rof1);
zgradpulse(gzlvl0, gt0);
delay(2.0*gstab);
delay(5.0e-3);
/************ H->C13 */
txphase(zero);
decphase(zero);
rgpulse(pw,zero,rof1,rof1);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(gstab);
zgradpulse(gzlvl5, gt5);
delay(tauch - gt5 -gstab);
simshaped_pulse("hard",C180shape,2.0*pw,pwC180,zero,zero, 0.0, 0.0);
decpower(pwClvl);
decpwrf(4095.0);
txphase(one);
delay(tauch - gt5-gstab);
zgradpulse(gzlvl5, gt5);
delay(gstab);
rgpulse(pw, one, rof1,rof1);
/*** purge */
dec2power(pwNlvl);
dec2pwrf(4095.0);
txphase(zero);
decphase(t2);
delay(gstab);
zgradpulse(gzlvl2, gt2);
delay(3.0*gstab);
/* evolution on t1 */
/* real time here */
if(CT[A]=='n')
{
decrgpulse(pwC, t2, 0.0, 0.0);
decphase(zero);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(tau1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y')
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay(tau1);
/*************** CODING with CLUB sandwitches and BIPS */
zgradpulse(gzlvl3*icosel, gt3);
delay(gstab1);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
zgradpulse(-gzlvl3*icosel, gt3);
delay(gstab1 +rof1*2.0+pw*4.0 +pwC*4.0/M_PI +2.0*POWER_DELAY+2.0*PWRF_DELAY);
if(refocN15[A]=='y') delay(2.0*pwN); /*n15 refocusing */
if(refocCO[A]=='y') /* ghost CO pulse */
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
zgradpulse(-gzlvl3*icosel, gt3);
delay(gstab1);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
zgradpulse( gzlvl3*icosel, gt3);
decpower(pwClvl);
decpwrf(4095.0);
delay(gstab1);
} /* end of if bracket for real-time */
/*^^^^^^^ end of real time */
/* CONSTANT TIME VESION: */
if(CT[A]=='y')
{
decrgpulse(pwC, t2, 0.0, 0.0);
/* timeCC-t1 evolution */
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay((timeCC-tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN-rof1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y' )
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay((timeCC-tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN-rof1);
/* end of timeCC-t1 evolution */
/* 180 on carbons in T1 */
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
/* timeCC+t1 evolution + encoding */
delay((timeCC+tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN -rof1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y' )
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay((timeCC+tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN -rof1);
zgradpulse(-gzlvl3*icosel, gt3*2.0); /* coding */
delay(gstab +pwC*4.0/M_PI);
decshaped_pulse(C180shape,pwC180,zero, 2e-6, 2e-6); /* ghost BIP pulse */
zgradpulse(gzlvl3*icosel, gt3*2.0); /* coding */
delay(gstab);
} /*^^^^^^^ end of CONSTANT time bracket*/
/*reverse INPET */
simpulse(pw, pwC, zero, t10, 0.0, 0.0);
delay(gstab);
zgradpulse(gzlvl4,gt4);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(tauch - gt4 - gstab -corrD-pwC180 -POWER_DELAY-PWRF_DELAY);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
delay(corrD);
rgpulse(2.0*pw,zero,rof1,rof1);
zgradpulse(gzlvl4,gt4);
delay(tauch - gt4 - gstab -corrB-pwC180 -POWER_DELAY-PWRF_DELAY);
delay(gstab);
decphase(one);
txphase(one);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
decpower(pwClvl);
decpwrf(4095.0);
delay(corrB);
simpulse(pw, pwC, one, one, 0.0, 0.0);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(gstab-POWER_DELAY-PWRF_DELAY -WFG_START_DELAY);
zgradpulse(gzlvl5,gt5);
delay(tauch1 - gt5 - gstab);
simshaped_pulse("hard",C180shape,2.0*pw,pwC180,zero,zero, 0.0, 0.0);
delay(tauch1- gt5 - gstab - WFG_STOP_DELAY);
zgradpulse(gzlvl5,gt5);
delay(gstab-rof1);
rgpulse(pw, zero,rof1,rof1);
/* echo and decoding */
delay(gstab+gt9-rof1+10.0e-6 + 2.0*POWER_DELAY+PWRF_DELAY +2.0*GRADIENT_DELAY);
decoffset(dof_dec);
rgpulse(2.0*pw, zero,rof1,rof1);
delay(10.0e-6);
zgradpulse(gzlvl9,gt9);
decpower(dpwr);
decpwrf(4095.0);
decoffset(dof_dec);
dec2power(dpwr2); /* POWER_DELAY EACH */
delay(gstab);
status(C);
setreceiver(t11);
}
void pulsesequence()
{
double selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
pwx180 = getval("pwx180"),
pwxlvl180 = getval("pwxlvl180"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
tau,
evolcorr,
jdly,
bird;
int icosel,
ijscale,
prgcycle = (int)(getval("prgcycle")+0.5),
phase1=(int)(getval("phase")+0.5);
char selshapeA[MAXSTR],
selshapeB[MAXSTR],
pwx180ad[MAXSTR],
pwx180adR[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",0.5);
gzlvlE = syncGradLvl("gtE","gzlvlE",0.5);
gtA = syncGradTime("gtA","gzlvlA",1.0);
gzlvlA = syncGradLvl("gtA","gzlvlA",1.0);
gtB = syncGradTime("gtB","gzlvlB",1.0);
gzlvlB = syncGradLvl("gtB","gzlvlB",1.0);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
getstr("pwx180ad", pwx180ad);
getstr("pwx180adR", pwx180adR);
evolcorr=(4*pwx/PI)+2*pw+8.0e-6;
bird = 1 / (4*(getval("j1xh")));
tau = 1/(4*(getval("jnxh")));
ijscale=(int)(getval("jscale") + 0.5);
jdly=(d2*ijscale);
icosel = 1;
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && (satmode[0] == 'y') && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1,4,ph1);
settable(t2,2,ph2);
settable(t4,8,ph4);
settable(t5,8,ph5);
getelem(t1,v17,v1);
getelem(t2,v17,v2);
getelem(t4,v17,v4);
getelem(t5,v17,oph);
add(oph,v18,oph);
add(oph,v19,oph);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
/*
mod2(id2, v14);
dbl(v14,v14);
*/
add(v2, v14, v2);
add(oph, v14, oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,zero);
if (getflag("prgflg"))
shaped_purge(v1,zero,v18,v19);
}
else
{
satpulse(satdly,zero,rof1,rof1);
if (getflag("prgflg"))
purge(v1,zero,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(pwxlvl);
status(B);
if (getflag("nullflg"))
{
rgpulse(0.5 * pw, zero, rof1, rof1);
delay(2 * bird);
decpower(pwxlvl180);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
rgpulse(2.0 * pw, zero, rof1, rof1);
delay(2 * bird + 2 * POWER_DELAY);
decshaped_pulse(pwx180adR, pwx180, zero, rof1, rof1);
decpower(pwxlvl);
rgpulse(1.5 * pw, zero, rof1, rof1);
zgradpulse(hsglvl, hsgt);
delay(1e-3);
}
if (getflag("cpmgflg"))
{
rgpulse(pw, v1, rof1, 0.0);
cpmg(v1, v15);
}
else
rgpulse(pw, v1, rof1, rof1);
delay(tau/2 - gtA - gstab);
delay(jdly/4);
zgradpulse(gzlvlA,gtA);
delay(gstab);
obspower(selpwrA);
decpower(pwxlvl180);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
shaped_pulse(selshapeA,selpwA,zero,rof1,rof1);
zgradpulse(gzlvlA,gtA);
delay(gstab);
delay(tau/2 - gtA - gstab);
delay(jdly/2);
delay(tau/2 - gtB - gstab);
zgradpulse(gzlvlB,gtB);
delay(gstab);
obspower(selpwrB);
decshaped_pulse(pwx180adR, pwx180, zero, rof1, rof1);
shaped_pulse(selshapeB,selpwB,two,rof1,rof1);
obspower(tpwr);
zgradpulse(gzlvlB,gtB);
delay(gstab);
decpower(pwxlvl);
delay(jdly/4);
delay(tau/2 - gtB - gstab);
rgpulse(pw, one, rof1, rof1);
zgradpulse(hsglvl, 2 * hsgt);
delay(1e-3);
decrgpulse(pwx, v2, rof1, 2.0e-6);
delay(d2/2);
rgpulse(2 * pw, zero, 2.0e-6, 2.0e-6);
delay(d2/2);
delay(gtE + gstab + 2*GRADIENT_DELAY - POWER_DELAY);
decpower(pwxlvl180);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
zgradpulse(gzlvlE, gtE);
delay(gstab + POWER_DELAY + evolcorr);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
decpower(pwxlvl);
decrgpulse(pwx, v4, 2.0e-6, rof1);
zgradpulse(-0.6 * hsglvl, 1.2 * hsgt);
delay(1e-3);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(icosel * 2.0*gzlvlE/EDratio, gtE/2.0);
delay(gstab);
delay(tau - gtA - 2*gstab - gtE/2);
zgradpulse(gzlvlA,gtA);
delay(gstab);
obspower(selpwrA);
decpower(pwxlvl180);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
shaped_pulse(selshapeA,selpwA,zero,rof1,rof1);
zgradpulse(gzlvlA,gtA);
delay(gstab);
delay(tau - gtA - gstab);
decshaped_pulse(pwx180adR, pwx180, zero, rof1, rof1);
decpower(dpwr);
zgradpulse(gzlvlB,gtB);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,two,rof1,rof2);
obspower(tpwr);
zgradpulse(gzlvlB,gtB);
delay(gstab);
status(C);
}
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()
{
double gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
mult = getval("mult"),
pwx180 = getval("pwx180"),
pwxlvl180 = getval("pwxlvl180"),
pwx180r = getval("pwx180r"),
pwxlvl180r = getval("pwxlvl180r"),
tpwr180 = getval("tpwr180"),
pw180 = getval("pw180"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
gzlvl5 = getval("gzlvl5"),
tau,
taug;
int icosel,
phase1 = (int)(getval("phase")+0.5),
prgcycle = (int)(getval("prgcycle")+0.5),
ZZgsign;
char pwx180ad[MAXSTR],
pwx180ref[MAXSTR],
bipflg[MAXSTR],
pw180ad[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",0.5);
gzlvlE = syncGradLvl("gtE","gzlvlE",0.5);
getstr("pwx180ad", pwx180ad);
getstr("pwx180ref", pwx180ref);
getstr("pw180ad", pw180ad);
getstr("bipflg",bipflg);
if (bipflg[0] == 'y')
{
tpwr180=getval("tnbippwr");
pw180=getval("tnbippw");
getstr("tnbipshp",pw180ad);
}
if (bipflg[1] == 'y')
{
pwxlvl180=getval("dnbippwr");
pwx180=getval("dnbippw");
getstr("dnbipshp",pwx180ad);
}
tau = 1 / (4*(getval("j1xh")));
if (mult > 0.5)
taug = 2*tau + getval("tauC");
else
taug = gtE + gstab + 2 * GRADIENT_DELAY;
ZZgsign=-1;
if (mult == 2) ZZgsign=1;
icosel = 1;
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && (satmode[0] == 'y') && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1, 4, ph1);
settable(t2, 2, ph2);
settable(t3, 8, ph3);
settable(t4, 16, ph4);
settable(t5, 16, ph5);
getelem(t1, v17, v1);
getelem(t3, v17, v3);
getelem(t4, v17, v4);
getelem(t2, v17, v2);
getelem(t5, v17, oph);
assign(zero,v6);
add(oph,v18,oph);
add(oph,v19,oph);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
/*
mod2(id2, v14);
dbl(v14,v14);
*/
add(v2, v14, v2);
add(oph, v14, oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,zero);
if (getflag("prgflg"))
shaped_purge(v6,zero,v18,v19);
}
else
{
satpulse(satdly,zero,rof1,rof1);
if (getflag("prgflg"))
purge(v6,zero,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
obspower(tpwr);
decpower(pwxlvl180);
status(B);
if (getflag("nullflg"))
{
rgpulse(0.5 * pw, zero, rof1, rof1);
obspower(tpwr180);
delay(tau);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
delay(tau+POWER_DELAY+rof1);
delay(tau+POWER_DELAY+rof1);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
obspower(tpwr);
delay(tau);
rgpulse(0.5 * pw, zero, rof1, rof1);
zgradpulse(hsglvl, hsgt);
delay(1e-3);
}
rgpulse(pw, v6, rof1, rof1);
obspower(tpwr180);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
delay(tau+2.0*POWER_DELAY+2.0*rof1);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
delay(tau);
obspower(tpwr);
rgpulse(pw, v1, rof1, rof1);
zgradpulse(hsglvl, 2 * hsgt);
decpower(pwxlvl);
obspower(tpwr180);
delay(1e-3);
decrgpulse(pwx, v2, rof1, 2.0e-6);
delay(d2 / 2);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
delay(d2 / 2);
delay(taug - POWER_DELAY);
decpower(pwxlvl180r);
decshaped_pulse(pwx180ref, pwx180r, zero, rof1, rof1);
if(mult < 1.5)
{
obspower(tpwr);
if (mult <0.5)
delay(2*rof1);
else
rgpulse(mult*pw,zero,rof1,rof1);
}
else
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
if(mult < 1.5)
delay(4*pwx/PI + 4.0e-6 + taug - gtE - gstab - 2 * GRADIENT_DELAY + WFG_START_DELAY + pw180 + WFG_STOP_DELAY - mult*pw);
else
delay(4*pwx/PI + 4.0e-6 + POWER_DELAY + taug - gtE - gstab - 2 * GRADIENT_DELAY);
zgradpulse(gzlvlE, gtE);
delay(gstab);
decshaped_pulse(pwx180ref, pwx180r, zero, rof1, rof1);
decpower(pwxlvl);
decrgpulse(pwx, v4, 2.0e-6, rof1);
obspower(tpwr);
decpower(pwxlvl180);
zgradpulse(ZZgsign*0.6 * hsglvl, 1.2 * hsgt);
delay(1e-3);
rgpulse(pw, v3, rof1, rof1);
obspower(tpwr180);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
zgradpulse(gzlvl5,gtE/2.0);
delay(tau-gtE/2.0+2.0*POWER_DELAY);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof2);
zgradpulse(gzlvl5+icosel * 2.0*gzlvlE/EDratio, gtE/2.0);
delay(tau-gtE/2.0);
decpower(dpwr);
status(C);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
Cshape[MAXSTR], /* CACO inversion 180 pulse */
water_sat[MAXSTR]; /* saturate/non-saturate water flag */
int icosel; /* used to get n and p type */
double tau1, /* t1 delay */
tpwrs,
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse(down)*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power adustment for second soft pulse(up) */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
compH =getval("compH"),
lambda = 1.0/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
tau_cp= getval("tau_cp"), /* 1/4 of overall relaxation increment */
ncyc=getval("ncyc"), /* number of pulsed cycles in relaxT */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
C180pw=getval("C180pw"),
C180pwr=getval("C180pwr"), /* 13C decoupling pulse parameters */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
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 */
sw1 = getval("sw1"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
/* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
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("C13refoc",C13refoc);
getstr("Cshape",Cshape);
getstr("water_sat",water_sat);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
if (tpwrsf_d<4095.0)
tpwrs=tpwrs+6.0; /* add 6dB to let tpwrsf_d control fine power ~2048*/
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t10,1,phi10);
settable(t31,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( pw > 50.0e-6 )
{ text_error("dont fry the probe, pw too high ! "); psg_abort(1); }
if( pwN > 100.0e-6 )
{ text_error("dont fry the probe, pwN too high ! "); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel = -1;
if (phase1 == 1) {tsadd(t10,2,4); 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;
/* Calculate modifications to phases for States-TPPI acquisition */
if(d2_index % 2) { tsadd(t1,2,4); tsadd(t31,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
status(B);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
rgpulse(pw,zero,rof1,rof1); /* 1H pulse excitation */
delay(gstab);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0 -gstab);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
delay(lambda - gt0 -gstab);
zgradpulse(gzlvl0, gt0);
delay(gstab);
rgpulse(pw, one, rof1, rof1); /* on NzHz now */
if(water_sat[A]=='n') /* water to -Z */
{
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2osinc",pwHs,two,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
}
/* purge */
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* HzNz-> Nz */
dec2rgpulse( pwN, zero, 0.0, 0.0);
delay(gstab);
zgradpulse(gzlvl6, gt0);
delay(lambda - gt0 -gstab);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t3);
delay(lambda - gt0 -gstab);
zgradpulse(gzlvl6, gt0);
delay(gstab);
dec2rgpulse( pwN, t3, 0.0, 0.0);
/* purge */
zgradpulse(gzlvl7, gt7);
dec2phase(t3);
delay(gstab);
/* T1 relaxation delay */
if(ncyc > 0)
{
initval(ncyc,v4);
loop(v4,v5);
initval(2.0,v8);
loop(v8,v9);
if(water_sat[A]=='n') /* water to +Z */
{
delay(tau_cp-pw -rof1 -pwHs - 2.0*rof1-2.0*POWER_DELAY-WFG_START_DELAY -WFG_STOP_DELAY );
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2osinc",pwHs,two,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(2.0*pw, zero, rof1, rof1);
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2osinc",pwHs,two,rof1,rof1);
obspower(tpwr);
delay(tau_cp-pw -rof1 -pwHs - 2.0*rof1-2.0*POWER_DELAY-WFG_START_DELAY -WFG_STOP_DELAY );
}
else /* just don't bother about water */
{
delay(tau_cp-pw -rof1);
rgpulse(2.0*pw, zero, rof1, rof1);
delay(tau_cp-pw -rof1);
}
endloop(v9); /* repeat two times */
endloop(v5);
}
/* 15N evolution, t1 */
txphase(zero);
dec2phase(t1);
dec2rgpulse( pwN, t1, 0.0, 0.0);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if(C13refoc[A]=='y')
{
decpower(C180pwr);
decshaped_pulse(Cshape, C180pw, zero, 0.0, 0.0);
decpower(pwClvl);
}
delay(tau1);
/* coding */
delay(lambda -gt1 -gstab -2.0*POWER_DELAY - C180pw);
if(C13refoc[A]!='y') delay(2.0*POWER_DELAY + C180pw);
zgradpulse(-icosel*gzlvl1, gt1); delay(gstab);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(icosel*gzlvl1, gt1); delay(gstab); /* 2.0*GRADIENT_DELAY */
delay(lambda -gt1 -gstab);
dec2phase(t10);
/* reverse INEPT */
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(gstab);
zgradpulse(gzlvl4, gt5);
delay(lambda -gt5 -gstab);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
dec2phase(one);
delay(lambda - gt5 -gstab);
zgradpulse(gzlvl4, gt5);
delay(gstab);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(gstab);
zgradpulse( gzlvl5, gt5);
delay(lambda - gt5 -gstab);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(lambda - gt5 -gstab);
zgradpulse(gzlvl5, gt5);
delay(gstab);
rgpulse(pw, zero, 0.0, 0.0);
delay(gt2 +gstab - 0.65*pw + 2.0*GRADIENT_DELAY + 2.0*POWER_DELAY);
rgpulse(2.0*pw, zero, rof1, rof1);
dec2power(dpwr2); decpower(dpwr); /* POWER_DELAY */
zgradpulse( gzlvl2, gt2); /* 2.0*GRADIENT_DELAY */
delay(gstab -10.0e-6);
statusdelay(C,10.0e-6);
setreceiver(t31);
}
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 */
Cfilter[MAXSTR]; /*do C' Cfilter */
int icosel, /* used to get n and p type */
t1_counter; /* used for states tppi in t1 */
double tCN = getval("tCN"),
kappa, /*semi-constant time scale factor*/
tau1, /* t1 delay */
lambda = 0.91/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
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 */
pwC3 = getval("pwC3"), /* 180 selective Ca null on C' */
pwC8 = getval("pwC8"), /* 180 selective C' null on Ca */
pwC6 = getval("pwC6"), /* 90 selective C' null on Ca */
rf3,
rf8,
rf6,
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
tpwrsf_n = getval("tpwrsf_n"), /* fine power adustment for first soft pulse(TROSY=y)*/
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for second soft pulse(TROSY=y)*/
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* dac to G/cm conversion */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5");
getstr("f1180",f1180);
getstr("Cfilter",Cfilter);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,1,phi3);
settable(t4,2,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree square pulse on Ca, null at CO 118ppm away */
rf3 = (1/compC*compC*4095.0*pwC*2.0)/pwC3; /* no need for compC at high power level*/
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 */
/* 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 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( pw > 50.0e-6 )
{ text_error("dont fry the probe, pw too high ! "); psg_abort(1); }
if( pwN > 100.0e-6 )
{ text_error("dont fry the probe, pwN too high ! "); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 1) icosel = -1;
else { tsadd(t3,2,4); 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;
/* 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(t4,2,4); }
kappa = tCN>ni/sw1? 1:tCN/(ni/sw1);
kappa = ((double)((int)(kappa*1000)))/1000;
/* 3 digits after the point, may cause a small decrease in value for safe boundary */
printf("kappa = %f\n", kappa);
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
decpwrf(rf0);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
/* xxxxxxxxxxxxxxxxx CONSTANT SAMPLE HEATING FROM N15 RF xxxxxxxxxxxxxxxxx */
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
rcvroff();
/*dec2rgpulse(pwN, zero, 0.0, 0.0); */ /*destroy N15 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
/*dec2rgpulse(pwN, one, 0.0, 0.0); */
zgradpulse(0.7*gzlvl0, 0.5e-3);
txphase(t1);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
txphase(zero);
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, three, 0.0, 0.0);
txphase(two);
obspower(tpwrs+6.0);
obspwrf(tpwrsf_n);
shaped_pulse("H2Osinc_n", pwHs, zero, 5.0e-5, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
dec2phase(t1);
delay(gstab);
decpwrf(rf8);
dec2rgpulse(pwN, t1, 0.0, 0.0);
txphase(zero);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(zero);
/* shared CT for C' Cfilter and N15 chem shift evolution */
delay(tCN/2.0 - kappa*tau1 - gt5 -gstab);
zgradpulse(gzlvl5,gt5);
delay(gstab);
if(Cfilter[A] == 'y' && (1-kappa)*tau1 < pwC8/2) {
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCN/2.0 + (1-kappa)*tau1 -gt5 - pwC3 - pwC8);
}
else if (Cfilter[A] == 'y' && (1-kappa)*tau1 >= pwC8/2){
dec2rgpulse(2.0*pwN,zero,(pwC8-2.0*pwN)/2.0,(pwC8-2.0*pwN)/2.0);
if( (1-kappa)*tau1 >= gt5 +gstab + pwC8/2){
zgradpulse(gzlvl5,gt5);
delay((1-kappa)*tau1 -pwC8/2.0 - gt5);
decshaped_pulse("offC8", pwC8,zero,0.0,0.0);
delay(tCN/2.0 - pwC3 - 1.5*pwC8);
}
else{
delay((1-kappa)*tau1 -pwC8/2.0);
decshaped_pulse("offC8", pwC8,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCN/2.0 -gt5 - pwC3 - 1.5*pwC8);
}
}
else{
dec2rgpulse(2.0*pwN,zero,(pwC8-2.0*pwN)/2.0,(pwC8-2.0*pwN)/2.0);
zgradpulse(gzlvl5,gt5);
delay(tCN/2.0 + (1-kappa)*tau1 -gt5 - pwC3 - pwC8);
}
decpwrf(rf3);
decshaped_pulse("offC3", pwC3, zero,0.0, 0.0);
decpwrf(rf8);
if(Cfilter[A] == 'y'){
delay(pwC8);
}
else {
decshaped_pulse("offC8", pwC8,zero,0.0,0.0);
}
delay(tau1);
/* gradient for coherence selection and H(z)N(x/y)C(x/y) destruction */
decpwrf(rf6);
if(Cfilter[A] == 'y' ){
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
}
else{
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0); /*delay(pwC6);*/
}
zgradpulse(gzlvl1, gt1);
dec2phase(t2);
delay(gstab - 2.0*GRADIENT_DELAY);
dec2rgpulse(2.0*pwN, t2, 0.0, 0.0);
delay(gt1+gstab + pwC6);
txphase(three);
txphase(t4);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw,0.0,pwN, zero,zero, t3, 0.0, 0.0);
if (tpwrsf_d<4095.0)
{
obspwrf(tpwrsf_d); obspower(tpwrs+6.0);
shaped_pulse("H2Osinc_d", pwHs, zero, 5.0e-5, 0.0);
obspower(tpwr); obspwrf(4095.0);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc_d", pwHs, zero, 5.0e-5, 0.0);
obspower(tpwr);
}
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 0.65*(pw + pwN) - gt5 - pwHs - 2.0*POWER_DELAY -2.0*PWRF_DELAY -50.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(zero);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, zero, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5 );
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(one);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - 1.6*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.65*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, 0.1*gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4);
setreceiver(t4);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char coshape[MAXSTR], /* dec pattern for CO decoupling */
fhfdwt1[MAXSTR], /* Flag to indicate half dwell start in t1 */
fhfdwt2[MAXSTR]; /* Flag to indicate half dwell start in t2 */
int
satmove;
double tauhc, /* 1 / 4*J[13C-H] [~1.5ms] */
tau1, /* t1-evolution variable */
tau2, /* t2-evolutionvariable */
pwca, /* PW90 for 13C nucleus */
pwco, /* PW90 for 13C carbonyl decoupling */
pwcalvl, /* power level for 13C pulses on dec1 */
pwcolvl, /* power level for C=O decoupling pulse */
jch, /* coupling for C-C (set to 40 Hz ) */
ncyc, /* # cycles through dipsi loop */
trim, /* trim pulse length(sec) */
dipsipwr, /* power level for 13C spin lock */
delta1,delta2;
/* LOAD VARIABLES */
dipsipwr = getval("dipsipwr");
ncyc = getval("ncyc");
trim = getval("trim");
sw1 = getval("sw1");
sw2 = getval("sw2");
pwca = getval("pwca");
pwco = getval("pwco");
pwcalvl = getval("pwcalvl");
pwcolvl = getval("pwcolvl");
jch = getval("jch"); /* Use 152 [overestimate; true J ~140 ] */
getstr("coshape",coshape);
getstr("fhfdwt1",fhfdwt1);
getstr("fhfdwt2",fhfdwt2);
/* calculate delays */
tauhc = (1.0/(4*jch));
delta1 = (1.0/(6.0*jch));
delta2 = (delta1);
satmove = (fabs(tof - satfrq) >= 0.2);
/* CHECK VALIDITY OF PARAMETER RANGE */
if((dm[A] != 'n') || (dm[B] != 'n'))
{
printf("dm should be 'nnn' or 'nny' ");
psg_abort(1);
}
if((dm2[A] != 'n') || (dm2[B] != 'n') || (dm2[C] != 'n'))
{
printf("dm2 should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 20 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( pwcolvl > 60 )
{
printf("DCOPWR too large!");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DCPWR too large! ");
psg_abort(1);
}
if(( pwca > 2.5e-5 || pw > 2.5e-5 ))
{
printf("Pulsewidths [pw, pwca] must be shorter than 25 us. Abort.");
psg_abort(1);
}
if ( pwco > 2.0e-3 )
{
printf("PWCO must be less than 2 ms. Abort.");
psg_abort(1);
}
if ( ncyc*217.33*p1 > 0.03)
{
printf("mixing time must be < 30ms! Abort.");
psg_abort(1);
}
if (ncyc > 4)
{
printf("ncyc should be no greater than 4. Abort.");
psg_abort(1);
}
/* INITIALIZE VARIABLES */
if(fhfdwt1[0] == 'y')
tau1 = (d2 + 1/(2*sw1) );
else
tau1 = d2;
if(fhfdwt2[0] == 'y')
tau2 = (d3 + 1/(2*sw2));
else
tau2 = d3;
initval(ncyc,v7); /* v7 is the dipsi loop counter */
settable(t21,1,psi1);
settable(t11,2,phi1);
settable(t12,1,phi2);
settable(t13,1,phi3);
settable(t14,1,phi4);
settable(t15,8,phi5);
settable(t16,8,phi6);
settable(t10,8,rec);
/* Phase table:
phi1 = t11 = 0 1
phi2 = t12 = 0
phi3 = t13 = 0 0 0 0 0 0 0 0
phi3'= t14 = 1 1 1 1 1 1 1 1
phi5 = t15 = 0 0 1 1 2 2 3 3
phi6 = t16 = 0 0 0 0 2 2 2 2
THESE TO BE SOFTWARE-MODIFIED BASED ON t1, t2 VALUES:
rec = t10 = 0 2 2 0 0 2 2 0
psi1 = t21 = 0
psi2 = t22 = 0
*/
if(phase1==2) tsadd(t21,1,4);
if(phase2==2) tsadd(t12,1,4);
if(d2_index%2)
{
tsadd(t21,2,4);
tsadd(t10,2,4);
}
if(d3_index%2)
{
tsadd(t12,2,4);
tsadd(t10,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
if (satmode[A] == 'y')
{
if(satmove)
obsoffset(satfrq);
obspower(satpwr);
rgpulse(d1,zero,rof1,rof1);
if(satmove)
obsoffset(tof);
}
else
{
delay(d1);
}
rcvroff();
decphase(t13);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
decpower(pwcalvl);
status(B);
rgpulse(pw,t21,1.0e-5,0.0); /* First 1H 90 degree pulse */
txphase(t11);
if(tau1 < (2*pwca + pw)) /* first t1-value */
{
delay(tauhc - 2*pwca - 1.0e-6); /* assuming pwca > pw */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
simpulse(2*pw, 2*pwca,t11, t14, 1.0e-6, 0.0);
decrgpulse(pwca,t13,1.0e-6,0.0); /* 13C composite 180 deg pulse */
txphase(one);
decphase(t12);
delay(tauhc - 2*pwca - 1.0e-6); /* assuming pwca > pw */
}
else
{
delay(tauhc + tau1/2 - 2*pwca -1.0e-6); /* t1-evol. plus pol. trans. */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
decrgpulse(2*pwca,t14,1.0e-6,0.0); /* 13C composite 180 deg pulse */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
delay(tau1/2 - 2*pwca - pw); /* continued t1-evol. */
rgpulse(2*pw,t11,0.0,0.0); /* proton echo pulse */
txphase(one);
decphase(t12);
delay(tauhc - pw);
}
simpulse(pw,pwca,one,t12,1.0e-6,0.2e-6);
decphase(zero);
decpower(pwcolvl);
if(tau2/2 > POWER_DELAY)
delay(tau2/2 - POWER_DELAY); /* t2 evolution */
else
delay(tau2/2);
decshaped_pulse(coshape,pwco,zero,0.0,0.0);
decpower(pwcalvl);
delay(delta1 - pwco - POWER_DELAY - WFG_START_DELAY - WFG_STOP_DELAY - pw);
rgpulse(2*pw,zero,0.0,0.0);
if (tau2/2 > (pw + pwca))
delay(tau2/2 - pw -pwca); /* t2 evolution */
else
delay(tau2/2);
decrgpulse(2*pwca,t15,0.0,0.0);
decphase(t16);
decpower(dipsipwr);
delay(delta1 - pwca - POWER_DELAY);
if (ncyc>0.0)
{
decrgpulse(trim,t16,0.0,0.0);
starthardloop(v7);
dipsi3a(); dipsi3b(); dipsi3b(); dipsi3a();
endhardloop();
}
txphase(zero); decphase(zero);
decpower(pwcalvl);
delay(delta2 - POWER_DELAY - pwca);
simpulse(2*pw,2*pwca,zero,zero,0.0,0.0);
txphase(t13);
delay(delta2);
/* start reversed INEPT */
simpulse(pw,pwca,t13,zero,0.0,0.0);
decphase(zero);
txphase(zero);
delay(tauhc - 2*pwca - 1.0e-6); /* delay = 1/4J */
decrgpulse(pwca,zero,0.0,0.0);
simpulse(2*pw,2*pwca,zero,one,1.0e-6,0.0);
decrgpulse(pwca,zero,1.0e-6,rof2);
delay(tauhc - 2*pwca - 1.0e-6 - rof2); /* delay = 1/4J */
decrgpulse(pwca,zero,0.0,0.0); /* Filter out IySz terms */
decrgpulse(pwca,t16,1.0e-6,0.0);
decpower(dpwr); /* Set power for decoupling */
/* BEGIN ACQUISITION */
setreceiver(t10);
status(C);
}
pulsesequence()
{
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t1 @ halfdwell */
CCdseq[MAXSTR],
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
pwC_Sel_Shape[MAXSTR], /* Selective C 180 refocusing pulse */
pwH_Sel_Shape[MAXSTR]; /* Selective H 180 refocusing pulse */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
ni2 = getval("ni2"),
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
lambda = 1.0/(4*getval("JCH")), /* 1/4J H1 evolution delay */
taucc = 1.0/(4*getval("JCC")), /* 1/4J CC evolution delay */
delta_cc = 1.0/(4*getval("JCC")), /* 1/4J CC evolution delay */
pwH_Sel_pw = getval("pwH_Sel_pw"), /* 180 Pulse selective pulse*/
pwH_Sel_lvl = getval("pwH_Sel_lvl"), /* 180 Pulse selective pulse power level*/
pwC_Sel_pw = getval("pwC_Sel_pw"), /* 180 C Pulse selective pulse*/
pwC_Sel_lvl = getval("pwC_Sel_lvl"), /* 180 C Pulse selective pulse power level*/
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
calC = getval("calC"), /* multiplier on a pwC pulse for calibration */
dofa,
calH = getval("calH"), /* multiplier on a pw pulse for H1 calibration */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
gstab = getval("gstab"), /* Gradient recovery delay, probe-dependent */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
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("CCdseq",CCdseq);
getstr("CChomodec",CChomodec);
getstr("f2180",f2180);
getstr("pwH_Sel_Shape",pwH_Sel_Shape);
getstr("pwC_Sel_Shape",pwC_Sel_Shape);
/* LOAD PHASE TABLE */
settable(t1,8,phi1);
settable(t2,4,phi2);
settable(t3,2,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t6,1,phi6);
settable(t9,16,phi9);
settable(t11,16,rec);
/* reset calH and calC if the user forgets */
if (ni>1.0)
{
calH=1.0; calC=1.0;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((ni/sw1) > (4*taucc - 2*gt4))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)((4*taucc - 2*gt4)*sw1)) ); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' "); psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr > 49 )
{ 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( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ( ni/sw1 > 4.0*taucc)
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)(4*taucc*sw1)) ); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel=1;
if (phase1 == 2)
{
tsadd(t1,1,4);
tsadd(t4,1,4);
tsadd(t5,1,4);
}
if (phase2 == 2)
{
tsadd(t6,2,4);
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(t1,2,4);
tsadd(t4,2,4);
tsadd(t5,2,4);
tsadd(t11,2,4);
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
/* BEGIN PULSE SEQUENCE */
status(A);
dofa = dof - 35.0*dfrq; /*start at C2' */
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
status(B);
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/2);
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);
rgpulse(calH*pw,zero,0.0,0.0); /* 1H pulse excitation */
decphase(t4);
delay(2.0*lambda);
decrgpulse(calC*pwC, t4, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
obspower(pwH_Sel_lvl);
decphase(zero);
delay(taucc -lambda - gt3 - WFG2_START_DELAY - pwH_Sel_pw/2.0 + 70.0e-6);
shaped_pulse(pwH_Sel_Shape, pwH_Sel_pw, zero, 0.0, 0.0);
delay(lambda - pwH_Sel_pw/2.5);
decrgpulse(2.0*pwC, t1, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
obspower(tpwr);
decphase(t5);
txphase(t2);
delay(taucc - gt3);
simpulse(pw, pwC, t2, t5, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
txphase(zero);
decphase(t3);
delay(2*taucc + tau1 - gt4);
decrgpulse(2.0*pwC, t3, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(2.0*taucc - tau1 - gt4);
dofa = dof - 17.5*dfrq; /*change to C1' */
decoffset(dofa);
/* ffffffffffffffffffff BEGIN SENSITIVITY ENHANCE fffffffffffffffffffff */
decrgpulse(pwC, zero, 0.0, 0.0);
if (CChomodec[A]=='y')
{
delay(delta_cc);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(delta_cc);
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
delay(tau2);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau2);
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwC_Sel_lvl);
zgradpulse(icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
decshaped_pulse(pwC_Sel_Shape, pwC_Sel_pw, t9, 0.0, 0.0);
zgradpulse(-1.0*icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
decphase(t6);
decpower(pwClvl);
delay(gstab);
}
else
{
decphase(zero);
zgradpulse(icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
delay(delta_cc + tau2);
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
zgradpulse(-1.0*icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
decphase(t6);
delay(delta_cc - tau2);
}
simpulse(pw, pwC, zero, t6, 0.0, 0.0);
decpower(pwC_Sel_lvl);
decphase(two);
zgradpulse(gzlvl5, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simshaped_pulse("",pwC_Sel_Shape, 2.0*pw,pwC_Sel_pw, zero, two, 0.0, 0.0);
decpower(pwClvl);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(one);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simpulse(pw, pwC, one, one, 0.0, 0.0);
decpower(pwC_Sel_lvl);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simshaped_pulse("",pwC_Sel_Shape, 2.0*pw,pwC_Sel_pw, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl2, gt1/8.0); /* 2.0*GRADIENT_DELAY */
delay(gstab/2-2.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decpower(dpwr); /* POWER_DELAY */
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(-1.0*gzlvl2, gt1/8.0); /* 2.0*GRADIENT_DELAY */
delay(gstab/2 -2.0*POWER_DELAY-2.0*GRADIENT_DELAY);
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mess_flg[MAXSTR], /* water purging */
ar180a[MAXSTR], /* waveform shape for aromatic 180 pulse
with C transmitter at dof */
cb180b[MAXSTR], /* waveform shape for aliphatic 180 pulse
with C transmitter at dofar */
ar180b[MAXSTR]; /* waveform shape for aromatic 180 pulse
with C transmitter at dofar */
int phase, ni,
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
taua, /* ~ 1/4JCbHb = 1.7 ms */
taub, /* ~ 1/4JCgCd = 2.7 ms */
tauc, /* ~ 1/4JCgCd = 2.1 ms */
taud, /* ~ 1/4JCdHd = 1.5 ms */
taue, /* = 1/4JCbHb = 1.8 ms */
tauf, /* 2(tauc-tauf) ~ 1/2JCdHd = 3.1 ms */
TCb, /* carbon constant time period
for recording the Cb chemical shifts */
dly_pg1, /* delay for water purging */
pwar180a, /* 180 aro pulse at d_ar180a and dof */
pwcb180b, /* 180 cb pulse at d_cb180b and dofar */
pwC, /* 90 c pulse at pwClvl */
pwsel90, /* 90 c pulse at d_sel90 */
pwar180b, /* 180 c pulse at d_ar180b */
compC, /* C-13 RF calibration parameters */
compH,
d_ar180a,
d_cb180b,
d_sel90,
d_ar180b,
dofar,
tsatpwr, /* low level 1H trans.power for presat */
tpwrmess, /* power level for water purging */
tpwrml, /* power level for 1H decoupling */
pwmlev, /* 90 pulse at tpwrml */
pwClvl, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
at,
gp11, /* gap between 90-90 for selective 180 of Cb */
fab, /* chemical shift difference of Ca-Cb (Hz) */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gstab,
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("fscuba",fscuba);
getstr("mess_flg",mess_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
taue = getval("taue");
tauf = getval("tauf");
TCb = getval("TCb");
pwC = getval("pwC");
dofar = getval("dofar");
dly_pg1 = getval("dly_pg1");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
tpwrmess = getval("tpwrmess");
tpwrml = getval("tpwrml");
pwClvl = getval("pwClvl");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
at = getval("at");
fab = getval("fab");
if(autocal[0]=='n')
{
getstr("ar180a",ar180a);
getstr("ar180b",ar180b);
getstr("cb180b",cb180b);
pwar180a = getval("pwar180a");
pwar180b = getval("pwar180b");
pwcb180b = getval("pwcb180b");
pwsel90 = getval("pwsel90");
d_ar180a = getval("d_ar180a");
d_cb180b = getval("d_cb180b");
d_ar180b = getval("d_ar180b");
d_sel90 = getval("d_sel90");
pwmlev = getval("pwmlev");
}
else
{
strcpy(ar180a,"Pg3_off_cb180a");
strcpy(ar180b,"Pg3_off_cb180b");
strcpy(cb180b,"Pg3_on");
if (FIRST_FID)
{
compC = getval("compC");
compH = getval("compH");
sel90 = pbox("cal", SEL90, "", dfrq, compC*pwC, pwClvl);
ar_180a = pbox(ar180a, AR180a, CB180ps, dfrq, compC*pwC, pwClvl);
ar_180b = pbox(ar180b, AR180b, CB180ps, dfrq, compC*pwC, pwClvl);
cb_180b = pbox(cb180b, CB180b, CB180ps, dfrq, compC*pwC, pwClvl);
w16 = pbox_dec("cal", "WALTZ16", tpwrml, sfrq, compH*pw, tpwr);
}
pwsel90 = sel90.pw; d_sel90 = sel90.pwr;
pwar180a = ar_180a.pw; d_ar180a = ar_180a.pwr;
pwar180b = ar_180b.pw; d_ar180b = ar_180b.pwr;
pwcb180b = cb_180b.pw; d_cb180b = cb_180b.pwr;
pwmlev = 1.0/w16.dmf;
}
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gstab = getval("gstab");
gt7 = getval("gt7");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( 0.5*ni*1/(sw1) > TCb - 2*POWER_DELAY
- WFG_START_DELAY - pwar180a - WFG_STOP_DELAY)
{
printf(" ni 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! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( tpwrml > 53 )
{
printf("tpwrml too large !!! ");
psg_abort(1);
}
if( tpwrmess > 56 )
{
printf("tpwrmess 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 > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwcb180b > 500.0e-6 )
{
printf("dont fry the probe, pwcb180b too high ! ");
psg_abort(1);
}
if( pwar180a > 500.0e-6 )
{
printf("dont fry the probe, pwar180a too high ! ");
psg_abort(1);
}
if (pwar180b > 500.0e-6)
{
printf("dont fry the probe, pwar180b too long !");
psg_abort(1);
}
if (pwsel90 > 100.0e-6)
{
printf("dont fry the probe, pwsel90 too long !");
psg_abort(1);
}
if(d_ar180a > 60)
{
printf("dont fry the probe, d_ar180a too high !");
psg_abort(1);
}
if(d_cb180b > 60)
{
printf("dont fry the probe, d_cb180b too high !");
psg_abort(1);
}
if (d_ar180b > 60)
{
printf("dont fry the probe, d_ar180b too high ! ");
psg_abort(1);
}
if (d_sel90 > 50)
{
printf("dont fry the probe, d_sel90 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);
}
if( fabs(gzlvl0) > 30000 || fabs(gzlvl1) > 30000 || fabs(gzlvl2) > 30000
||fabs(gzlvl3) > 30000 || fabs(gzlvl4) > 30000 || fabs(gzlvl5) > 30000
||fabs(gzlvl6) > 30000 || fabs(gzlvl7) > 30000)
{
printf("too strong gradient");
psg_abort(1);
}
if( 2*TCb - taue > 0.1 )
{
printf("dont fry the probe, too long TCb");
psg_abort(1);
}
if( at > 0.1 && (dm[C]=='y' || dm2[C]=='y'))
{
printf("dont fry the probe, too long at with decoupling");
psg_abort(1);
}
if( pwC > 30.0e-6)
{
printf("dont fry the probe, too long pwC");
psg_abort(1);
}
if( dly_pg1 > 10.0e-3)
{
printf("dont fry the probe, too long dly_pg1");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t2,1,4);
/* 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(t2,2,4);
tsadd(t6,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
}
tau1 = tau1/2.0;
/* 90-90 pulse for selective 180 of Cb but not Ca */
gp11 = 1/(2*fab) - 4/PI*pwsel90;
if (gp11 < 0.0) {
printf("gap of 90-90 negative, check fab and pwsel90");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
/* Receiver off time */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
if(mess_flg[A] == 'y') {
obspower(tpwrmess);
rgpulse(dly_pg1,zero,20.0e-6,20.0e-6);
rgpulse(dly_pg1/1.62,one,20.0e-6,20.0e-6);
obspower(tsatpwr);
}
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,20.0e-6,20.0e-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);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
rcvroff();
delay(10.0e-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(gzlvl0,gt0);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
txphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6);
rgpulse(pw,t1,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decphase(t2);
decpower(d_sel90);
decrgpulse(pwsel90,t2,2.0e-6,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0); /* bs effect */
delay(taue
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* Hldecoupling on */
delay(TCb + tau1 - taue - POWER_DELAY - 2.0e-6);
decphase(t3);
decpower(d_sel90);
decrgpulse(pwsel90,t3,2.0e-6,0.0);
delay(gp11);
decrgpulse(pwsel90,t3,0.0,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0);
delay(TCb - tau1
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
obspower(tpwr);
/* H decoupling off */
decoffset(dofar);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decphase(t4);
decpower(d_sel90);
decrgpulse(pwsel90,t4,2.0e-6,0.0);
decphase(zero);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0); /* B.S. */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - WFG_START_DELAY - 2.0e-6);
decphase(zero);
decpower(d_ar180b);
decshaped_pulse(ar180b,pwar180b,zero,2.0e-6,0.0);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- WFG_STOP_DELAY
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt5 - 102.0e-6 - 2.0e-6);
decphase(t5);
decpower(pwClvl);
decrgpulse(2*pwC,t5,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
txphase(zero);
delay(tauf - gt5 - 102.0e-6);
rgpulse(2*pw,zero,0.0,0.0);
delay(tauc - tauf - 2*pw
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(pwClvl);
simpulse(2*pw,2*pwC,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- 2*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* 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(t6);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
H2Opurge[MAXSTR], stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
tau2, /* t2 delay */
ni = getval("ni"), ni2 = getval("ni2"),
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
taua = getval("taua"), /* time delays for CH coupling evolution */
taub = getval("taub"), tauc = getval("tauc"),
/* string parameter stCdec calls stud decoupling waveform from your shapelib. */
studlvl, /* coarse power for STUD+ decoupling */
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 */
/* p_d is used to calculate the isotropic mixing on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for 9.0 kHz rf at 600MHz */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
spinlock = getval("spinlock"), /* DIPSI-3 Field Strength in Hz */
/* the following pulse length for the SLP pulse is automatically calculated */
/* by the macro "hcch_tocsy". The SLP pulse shape,"offC10" is called */
/* directly from your shapelib. */
pwC10 = getval("pwC10"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC10 ("offC10") pulse */
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 */
sw1 = getval("sw1"), sw2 = getval("sw2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"),
gt7 = getval("gt7"), 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("H2Opurge", H2Opurge);
getstr("STUD", STUD);
/* 80 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec80");
studlvl = pwClvl + 20.0 * log10(compC * pwC * 4.0 * rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3, 2, phi3);
settable(t5, 4, phi5);
settable(t9, 8, phi9);
settable(t11, 8, rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if (dpwrf < 4095)
{
printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1);
}
if ((pwC > (25.0e-6 * 600.0 / sfrq)) && (ncyc > 0.0))
{
printf("Increase pwClvl so that pwC < 25*600/sfrq");
psg_abort(1);
}
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
rf7 = (compC * 4095.0 * pwC * 2.0 * 1.65) / pwC10; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
if (spinlock < 1000.0)
{
printf("Spinlock seems too low. Please check spinlock value ! ");
psg_abort(1);
}
/* dipsi-3 spinlock on CbCa */
p_d = (5.0) / (9.0 * 4.0 * spinlock); /* DIPSI-3 */
rfd = (compC * 4095.0 * pwC * 5.0) / (p_d * 9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/*************************For Ultra-High Field Probes***************************/
if (sfrq>590.0)
{
if (ncyc>2)
{
if (pwC>15)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 2)
{
if (pwC>15)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 1)
{
if (pwC>15)
{
if (rfd > 2400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
}
}
}
/*********************End: For Ultra-High Field Probes***************************/
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nny' or 'nnn' ");
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 ((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);
}
if (dpwr > 52)
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if (pw > 80.0e-6)
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if (pwN > 100.0e-6)
{
printf("dont fry the probe, pwN too high ! ");
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(t5, 1, 4);
/* C13 TIME INCREMENTATION and set up f1180 */
/* 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(t11, 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(t11, 2, 4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B] == 'y')
lk_sample();
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 */
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(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization */
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7 * gzlvl0, 0.5e-3);
delay(5.0e-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(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taua + tau1 - gt0 - 2.0 * GRADIENT_DELAY - 2.0 * pwC);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
txphase(one);
decphase(t5);
delay(taua - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, t5, 0.0, 0.0);
delay(tau2);
dec2rgpulse(2.0 * pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
decpwrf(rf7);
delay(taub - 2.0 * pwN - gt4 - 2.0 * GRADIENT_DELAY);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
txphase(zero);
decpwrf(rf0);
delay(taub - 2.0 * pw);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
delay(tau2);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
decpwrf(rf7);
delay(taub);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(taub - gt4 - 2.0 * GRADIENT_DELAY);
decpwrf(rfd);
decrgpulse(1.0e-3, zero, 0.0, 0.0);
if (ncyc>0)
{
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
endhardloop();
}
decrgpulse(9.0 * p_d / 5.0, t9, 2.0e-6, 0.0);
if (H2Opurge[A] == 'y')
{
obspwrf(1000);
rgpulse(900 * pw, zero, 0.0, 0.0);
rgpulse(500 * pw, one, 0.0, 0.0);
obspwrf(4095.0);
}
zgradpulse(gzlvl7, gt7);
decpwrf(rf0);
delay(50.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl7, gt7 / 1.6);
decrgpulse(pwC, three, 100.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(tauc - gt5);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauc - gt5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
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 */
}
delay(2.0e-4);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(taua - gt5 + rof1);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, rof1);
zgradpulse(gzlvl6, gt5);
if (STUD[A] == 'y')
decpower(studlvl);
else
decpower(dpwr);
dec2power(dpwr2);
delay(taua - gt5 - 2.0 * POWER_DELAY);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y')
lk_sample();
setreceiver(t11);
if ((STUD[A] == 'y') && (dm[C] == 'y'))
{
decprgon(stCdec, 1.0 / stdmf, 1.0);
decon();
if (dm2[C] == 'y')
{
setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2);
}
}
else
status(C);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char
f1180[MAXSTR],f2180[MAXSTR],satmode[MAXSTR];
int icosel,t1_counter,t2_counter,first_FID;
double /* DELAYS */
tau1, /* t1/2 */
tau2, /* t2/2 */
/* COUPLINGS */
jhn = getval("jhn"), tauhn,
jnco = getval("jnco"), taunco,
jcoca = getval("jcoca"), taucoca,
jnca = getval("jnca"), taunca,
jhaca = getval("jhaca"), tauhaca,
jcaha = getval("jcaha"), taucaha,
jcacb = getval("jcacb"), taucacb,
/* PULSES */
pwN = getval("pwN"), /* PW90 for N-nuc */
pwC = getval("pwC"), /* PW90 for C-nuc */
pwHs = getval("pwHs"), /* pw for water selective pulse at twprsl */
/* POWER LEVELS */
satpwr = getval("satpwr"), /* low power level for presat */
tpwrsf_d = getval("tpwrsf_d"), /* fine power level "down" flipback pulse*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power level "up" flipback pulse*/
tpwrs, /* power level for selective pulse for water */
tpwrd,pwHd, /* power/pulse width for decoupling */
pwClvl = getval("pwClvl"), /* power level for C hard pulses */
compH = getval("compH"), /* compression factor */
compC = getval("compC"), /* compression factor */
pwNlvl = getval("pwNlvl"), /* power level for N hard pulses */
rf90onco, pw90onco, /* power level/width for CO 90 pulses */
rf180onco, pw180onco, /* power level/width for CO 180 pulses */
rf180offca, pw180offca, /* power level/width for off-res Ca 180 pulses */
/* CONSTANTS */
lambda = getval("lambda"), /* J scaling factor */
kappa, /* semi constant-time factor */
ni2=getval("ni2"),
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
/* GRADIENT DELAYS AND LEVES */
gt0 = getval("gt0"), /* gradient time */
gt1 = getval("gt1"), /* gradient time */
gt3 = getval("gt3"), /* gradient time */
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"), /* level of gradient */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5");
/* 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);
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* check validity of parameter range */
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! ");
psg_abort(1);
}
if ( satpwr > 8 )
{
printf("satpwr 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);
}
/* LOAD VARIABLES */
settable(t1, 1, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 2, phi4);
settable(t5, 4, phi5);
settable(t6, 8, phi6);
settable(t7, 4, phi7);
/* INITIALIZE VARIABLES */
tauhn = ((jhn != 0.0) ? 1/(4*(jhn)) : 2.75e-3);
taunco = ((jnco !=0.0) ? 1/(4*(jnco)) : 16.6e-3);
taucoca = ((jcoca !=0.0) ? 1/(4*(jcoca)) : 4.5e-3);
taunca = ((jnca !=0.0) ? 1/(4*(jnca)) : 12e-3);
tauhaca = ((jhaca !=0.0) ? 1/(4*(jhaca)) : 12e-3);
taucaha = ((jcaha !=0.0) ? 1/(4*(jcaha)) : 12e-3);
taucacb = ((jcacb !=0.0) ? 1/(4*(jcacb)) : 12e-3);
if((getval("arraydim") < 1.5) || (ix==1))
first_FID = 1;
else
first_FID = 0;
/* 90 degree pulse on CO, null at Ca 118ppm away */
pw90onco = sqrt(15.0)/(4.0*118.0*dfrq);
rf90onco = (4095.0*pwC*compC)/pw90onco;
rf90onco = (int) (rf90onco + 0.5);
if(rf90onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw90onco -> rf90onco (%.0f)\n", rf90onco);
rf90onco = 4095.0;
pw90onco = pwC;
}
/* 180 degree pulse on CO, null at Ca 118ppm away */
pw180onco = sqrt(3.0)/(2.0*118.0*dfrq);
rf180onco = (4095.0*pwC*compC*2.0)/pw180onco;
rf180onco = (int) (rf180onco + 0.5);
if(rf180onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw180onco -> rf180onco (%.0f)\n", rf180onco);
rf180onco = 4095.0;
pw180onco = pwC*2.0;
}
pw180offca = pw180onco; rf180offca = rf180onco;
/* Phase incrementation for hypercomplex data */
if (phase1 == 2) /* Hypercomplex in t1 */
{
tsadd(t4, 1, 4);
}
if (phase1 == 4) /* Hypercomplex in t1 */
{
tsadd(t4, 1, 4);
}
kappa=(taunco - tauhn)/(0.5*ni2/sw2)-0.001;
if (kappa > 1.0)
{
kappa=1.0-0.01;
}
if (phase2 == 1) /* Hypercomplex in t2 */
{
icosel = -1;
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
}
else icosel = 1;
if (ix == 1)
printf("semi constant time factor %4.6f\n",kappa);
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if (ix == 1)
d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if (t1_counter %2) /* STATES-TPPI */
{
tsadd(t4,2,4);
tsadd(t7,2,4);
}
if(ix==1)
d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5);
if(t2_counter %2)
{
tsadd(t1,2,4);
tsadd(t7,2,4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (f1180[A] == 'y') tau1 += ( 1.0/(2.0*sw1));
tau1 = tau1/2.0;
/* set up so that get (-90,180) phase corrects in F2 if f2180 flag is y */
tau2 = d3;
if(f2180[A] == 'y') tau2 += ( 1.0/(2.0*sw2) );
tau2 = tau2/2.0;
/* 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 */
if (tpwrsf_d<4095.0) tpwrs=tpwrs+6; /* nominal tpwrsf_d ~ 2048 */
/* tpwrsf_d,tpwrsf_u can be used to correct for radiation damping */
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set decoupler1 power to pwClvl */
decpwrf(rf90onco);
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
/* Presaturation Period */
if (satmode[0] == 'y')
{
rgpulse(d1,zero,rof1,0.0);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
status(B);
rcvroff();
decpwrf(rf90onco); /* Set decoupler1 power to rf90onco */
sim3pulse(0.0,pw90onco,pwN,zero,zero,zero,rof1,rof1); /* 90 for 15N and 13C' */
zgradpulse(gzlvl0,gt0);
delay(gstab);
/* transfer from HN to N by INEPT */
/* shaped pulse for water flip-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,one,2.0e-6,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,zero,rof1,0.0);
zgradpulse(gzlvl0*1.3,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab); /* 1/(4JHN) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt0 - gstab); /* 1/(4JHN) */
zgradpulse(gzlvl0*1.3,gt0);
delay(gstab);
rgpulse(pw,three,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl3,gt3);
delay(gstab);
decpwrf(rf180onco); /* Set decoupler power to rf180onco */
dec2rgpulse(pwN,zero,0.0,0.0); /* 90 15N */
/* start transfer from N to CO */
delay(5.5e-3 - pwHd - POWER_DELAY - PRG_START_DELAY); /* 1/(2JHN) */
obspower(tpwrd);
rgpulse(pwHd,one,rof1,0.0);
txphase(zero);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
delay(taunco - 5.5e-3 - 0.5*pw180onco); /* 1/(4JNCO) - 1/(2JHN) */
sim3pulse(0.0,pw180onco,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(taunco - 5.5e-3 - 0.5*pw180onco); /* 1/(4JNCO) - 1/(2JHN) */
/* turn proton decoupling off */
xmtroff();
obsprgoff();
rgpulse(pwHd,three,rof1,0.0);
obspower(tpwr);
/* turned proton decoupling off */
delay(5.5e-3 - PRG_STOP_DELAY - pwHd - POWER_DELAY); /* 1/(2JHN) */
/* Start in-phase filter */
if (( phase1 == 1 || phase1 == 2))
{
dec2rgpulse(pwN,one,0.0,0.0); /* 90 15N */
zgradpulse(gzlvl3*1.5,gt3);
delay(gstab);
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,one,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,one,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
delay(0.5*tauhn - gt0 - gstab); /* 1/(8JNH) */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 15N */
delay(0.5*tauhn - gt0 - gstab); /* 1/(8JNH) */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
rgpulse(2.0*pw,zero,rof1,rof1); /* 180 1H */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
delay(0.5*tauhn - gt0 -gstab); /* 1/(8JNH) */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 15N */
delay(0.5*tauhn - gt0 -gstab); /* 1/(8JNH) */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
rgpulse(pw,one,rof1,0.0); /* 90 1H */
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,three,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
}
/* start antiphase filter */
if (( phase1 == 3 || phase1 == 4 ))
{
dec2rgpulse(pwN,one,0.0,0.0); /* 90 15N */
zgradpulse(gzlvl3*1.5,gt3);
delay(gstab);
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,zero,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,zero,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl0*0.9,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab - 2.0*pwN); /* 1/(4JNH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1); /* 180 1H and 15N */
delay(tauhn - gt0 - gstab - 2.0*pwN); /* 1/(4JNH) */
zgradpulse(gzlvl0*0.9,gt0);
delay(gstab);
rgpulse(pw,one,rof1,0.0); /* 90 1H */
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,three,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
}
/* End of filter section */
zgradpulse(gzlvl3*0.9,gt3);
delay(gstab);
rgpulse(2.0*pw,zero,rof1,0.0);
decpwrf(rf90onco); /* Set decoupler power to rf90onco */
decrgpulse(pw90onco,t4,0.0,0.0); /* 90 for 13C */
/* record 13C' frequences and 13C'-15N coupling */
delay(tau1);
decpwrf(rf180offca); /* Set decoupler power to rf180offca */
simshaped_pulse("","offC3",2.0*pw,pw180offca,zero,zero,rof1,rof1); /* 180 for 1H and 13CA */
decphase(zero);
decpwrf(rf180onco);
delay(tau1);
if (lambda>0.0)
{
delay(lambda*tau1);
sim3pulse(0.0,pw180onco,2.0*pwN,zero,t5,zero,0.0,0.0);
delay(lambda*tau1);
}
else decrgpulse(pw180onco,t5,0.0,0.0);
decpwrf(rf180offca); /* Set decoupler power to rf180offca */
simshaped_pulse("","offC3",0.0,pw180offca,zero,zero,0.0,0.0); /* 180 CA */
decphase(zero);
decpwrf(rf90onco);
/* start reverse transfer from CO to N by INEPT */
decrgpulse(pw90onco,zero,0.0,0.0); /* 90 for 13C' */
zgradpulse(gzlvl3*0.7,gt3);
delay(gstab);
dec2rgpulse(pwN,t1,0.0,0.0); /* 90 for 15N */
delay((taunco - tauhn) - kappa*tau2); /* 1/4J(NCO) - 1/4J(NH) - kt2/2 */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 for 15N */
delay((1-kappa)*tau2); /* (1-k)t2/2 */
decpwrf(rf180onco);
decrgpulse(pw180onco,zero,0.0,0.0); /* 180 for 13C' */
decpwrf(rf180offca);
delay(taunco - tauhn - gt1 - gstab - pw180onco - pw180offca - 3.0*POWER_DELAY);
zgradpulse(gzlvl1,gt1);
delay(gstab);
decshaped_pulse("offC3",pw180offca,zero,0.0,0.0);
delay(tau2); /* t2/2 */
/* start TROSY transfer from N to HN */
rgpulse(pw,t2,rof1,0.0); /* 180 for 1H */
zgradpulse(gzlvl5,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab );
decpwrf(rf180onco);
sim3pulse(2.0*pw,pw180onco,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt5 - gstab );
zgradpulse(gzlvl5,gt5);
delay(gstab);
decpwrf(rf90onco);
sim3pulse(pw,pw90onco,pwN,one,t6,zero,rof1,0.0);
/* shaped pulse for water flip-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,t2,rof1,0.0);
obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse */
zgradpulse(gzlvl5*0.9,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab - POWER_DELAY - pwHs);
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt5 - gstab );
decpower(dpwr);
zgradpulse(gzlvl5*0.9,gt5);
delay(gstab);
dec2rgpulse(pwN,t3,0.0,0.0); /* 90 for 15N */
dec2power(dpwr2);
delay((gt1/10.0) - pwN + gstab -POWER_DELAY);
rgpulse(2.0*pw, zero, rof1, rof1);
zgradpulse(gzlvl2*icosel,gt1/10.0);
delay(gstab);
/* acquire data */
status(C);
setreceiver(t7);
}
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]; /* To check for TROSY flag */
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 p_d,
rfd,
ncyc,
COmix = getval("COmix"),
p_trim,
rftrim,
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 adjustment for flipback */
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);
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 ((ni2 > 0.0) && (ni == 1.0)) ni = 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 ( ni > 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);
/* dipsi-3 decoupling on COCO */
p_trim = 1/(4*5000*(sfrq/600.0)); /* 5 kHz trim pulse at 600MHz as per Bax */
p_d = (5.0)/(9.0*4.0*2800.0*(sfrq/600.0)); /* 2.8 kHz DIPSI-3 at 600MHz as per Bax*/
rftrim = (compC*4095.0*pwC)/p_trim;
rftrim = (int)(rftrim+0.5);
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = ((COmix - 0.002)/51.8/4/p_d);
ncyc = (int) (ncyc + 0.5);
initval(ncyc,v9);
/* 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 ( 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);}
if ( TROSY[A] == 'y')
{ printf(" TROSY option is not implemented"); 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') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* 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);
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);
txphase(zero);
if (tpwrsf<4095.0) {obspower(tpwrs+6.0); obspwrf(tpwrsf);}
else obspower(tpwrs);
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);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
/***************************************************************/
/* The sequence is different from here with respect to ghn_co **/
/***************************************************************/
rgpulse(pwHd,one,2.0e-6,0.0); /* H1 decoupler is turned on */
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* Refocus CO, evolve CO, spinlock CO and defocus CO */
delay(timeTN - tau1/2 - 0.6*pwC6 - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("", "offC8","",0.0,pwC8, 2.0*pwN, zero,zero,zero,0.0,0.0);
decpwrf(rf3);
delay(timeTN - WFG3_STOP_DELAY - WFG_START_DELAY - pwC3a/2);
decshaped_pulse("offC3",pwC3a,zero,0.0,0.0);
if (tau1 > 0)
delay(tau1/2 - WFG_STOP_DELAY - pwC3a/2 - 2.0e-6);
else
delay(tau1/2);
/*******DO SPINLOCK ********/
decpwrf(rftrim);
decrgpulse(0.002,zero,2.0e-6,0.0);
decpwrf(rfd);
starthardloop(v9);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
endhardloop();
decpwrf(4095.0);
/* End of spinlock */
delay(timeTN - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("","offC8","",0.0,pwC8,2*pwN,zero,zero,zero,0.0,0.0);
decpwrf(rf6);
delay(timeTN - WFG3_STOP_DELAY);
/***************************************************************/
/* The sequence is same as ghn_co from this point ********/
/***************************************************************/
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);
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 (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(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 - 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(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 - 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(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-pwC3a-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", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
/* 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);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.65*pwN - gt5);
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(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);
setreceiver(t12);
}
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);
}
pulsesequence()
{
void makeHHdec(), makeCdec(); /* utility functions */
int ihh=1, /* used in HH decoupling to improve water suppression */
t1_counter;
char C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1 */
Hdecflg[MAXSTR], /* HH-h**o decoupling flag */
Cdecflg[MAXSTR], /* low power C-13 decoupling flag */
TROSY[MAXSTR],
wtg3919[MAXSTR];
double tauxh, tau1,
pwNt = 0.0, /* pulse only active in the TROSY option */
gsign = 1.0,
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
gzlvl3=getval("gzlvl3"),
gt3=getval("gt3"),
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfst = 4095.0, /* fine power for the stCall pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compr-n */
tpwrsf = getval("tpwrsf"); /* adjustment for soft pulse power*/
/* INITIALIZE VARIABLES */
getstr("C13refoc",C13refoc);
getstr("TROSY",TROSY);
getstr("wtg3919",wtg3919);
getstr("Hdecflg", Hdecflg);
getstr("Cdecflg", Cdecflg);
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if (C13refoc[A]=='y')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }
}
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if (C13refoc[A]=='y')
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
C13ofs = 100.0;
}
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC200.pwrf;
if (wtg3919[0] != 'y')
{
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
}
}
if (tpwrsf<4095.0) tpwrs = tpwrs + 6.0;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
if(Cdecflg[0] == 'y') makeCdec(); /* make shapes for HH h**o-decoupling */
if(Hdecflg[0] == 'y') makeHHdec();
if(Hdecflg[0] != 'n') ihh = -3;
/* check validity of parameter range */
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') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr > 0 )
{ text_error("don't fry the probe, dpwr too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
if ((TROSY[A]=='y') && (dm2[C] == 'y'))
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1); }
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
tau1 = d2/2.0 - pw;
if(tau1 < 0.0) tau1 = 0.0;
/* LOAD PHASE TABLES */
settable(t6, 4, recT);
if (TROSY[A] == 'y')
{ gsign = -1.0;
pwNt = pwN;
assign(zero,v7);
assign(two,v8);
settable(t1, 1, phT1);
settable(t2, 4, phT2);
settable(t3, 1, phT4);
settable(t4, 1, phT4);
settable(t5, 4, recT); }
else
{ assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 8, rec); }
if ( phase1 == 2 ) /* Hypercomplex in t1 */
{ if (TROSY[A] == 'y')
{ tsadd(t3, 2, 4); tsadd(t5, 2, 4); }
else tsadd(t2, 1, 4); }
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); tsadd(t6,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl);
decpwrf(rfst);
if(Hdecflg[0] != 'n')
{
delay(5.0e-5);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(1.5*gzlvl3, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(-gzlvl3, 0.5e-3);
}
delay(d1);
rcvroff();
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
zgradpulse(0.5*gsign*ihh*gzlvl3,gt3);
delay(200.0e-6);
decphase(zero);
if (TROSY[A] == 'y')
{
txphase(t3);
if ( phase1 == 2 )
dec2rgpulse(pwN, t6, rof1, 0.0);
else
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (d2 > 1.0e-3 + 2.0*WFG2_START_DELAY) )
{
delay(d2/2.0 - 0.5e-3 - WFG2_START_DELAY);
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(d2/2.0 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
delay(d2);
rgpulse(pw, t3, 0.0, rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(pw,0.0,pwN,zero,zero,t3,rof1,rof1);
}
else
{
txphase(t4);
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{
delay(tau1 - 0.5e-3 - WFG2_START_DELAY);
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, t4, zero, 0.0, 0.0);
dec2phase(t3);
delay(tau1 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
{
delay(tau1);
rgpulse(2.0*pw, t4, 0.0, 0.0);
dec2phase(t3);
delay(tau1);
}
dec2rgpulse(pwN, t3, 0.0, 0.0);
zgradpulse(0.5*gzlvl3,gt3);
delay(200.0e-6);
rgpulse(pw, two, rof1, rof1);
}
zgradpulse(gzlvl3,gt3);
txphase(v7); dec2phase(zero);
delay(tauxh-gt3-pwHs-rof1+5.0e-5);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs); if (tpwrsf<4095.0) obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0) obspwrf(4095.0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs); if (tpwrsf<4095.0)obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0)obspwrf(4095.0);
}
zgradpulse(gzlvl3,gt3);
if(Cdecflg[0] == 'y')
{
delay(tauxh-gt3-pwHs-rof1-pwNt-3.0*POWER_DELAY-PRG_START_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
pbox_decon(&Cdseq);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
else
{
delay(tauxh-gt3-pwHs-rof1-pwNt-POWER_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char
ch90shape[MAXSTR],
ch180shape[MAXSTR],
exp_mode[MAXSTR], /* flag to run 3D, or 2D time-shared 15N TROSY /13C HSQC-SE*/
decCACO[MAXSTR],
caco180shape[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR],
f3180[MAXSTR],
f4180[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, max_pcyc; /* used to get n and p type */
double
tpwrs,
ni2=getval("ni2"),
ni3=getval("ni3"),
tau1, tau1p,tau2,tau3,tau3p, /*evolution times in indirect dimensions */
tauNH=getval("tauNH"), /* 1/(4Jhn)*/
tauCH=getval("tauCH"), /* 1/(4Jch) */
tauCH1= getval("tauCH1"), /* tauCH/2.0+tauNH/2.0,*/ /* 1/(8Jch) +1/(8Jnh) */
tauCH2= getval("tauCH2"),
swC = getval("swC"), /* spectral widths in 13C methyls */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
swN = getval("swN"), /* spectral widths in 15N */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
ch90pwr=getval("ch90pwr"),
ch90pw=getval("ch90pw"),
ch90corr=getval("ch90corr"),
ch90dres=getval("ch90dres"),
ch90dmf=getval("ch90dmf"),
ch180pw=getval("ch180pw"),
ch180pwr=getval("ch180pwr"),
caco180pw=getval("caco180pw"),
caco180pwr=getval("caco180pwr"),
mix=getval("mix"),
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse(down)*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power adustment for second soft pulse(up) */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
compH =getval("compH"),
gstab = getval("gstab"),
gt0 = getval("gt0"),
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"),
gzlvl0 = getval("gzlvl0"),
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");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("ch180shape",ch180shape);
getstr("ch90shape",ch90shape);
getstr("decCACO",decCACO);
getstr("caco180shape",caco180shape);
getstr("exp_mode",exp_mode);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
if (tpwrsf_d<4095.0)
tpwrs=tpwrs+6.0; /* add 6dB to let tpwrsf_d control fine power ~2048*/
if( (exp_mode[A]!='2') && (exp_mode[A]!='3') && (exp_mode[A]!='4') )
{text_error("invalid exp_mode, Should be either 2D or 3D or 4D\n "); psg_abort(1); }
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,4,phi2);
settable(t12,4,phi2); {tsadd(t12,2,4);}
settable(t3,1,phi3);
settable(t4,2,phi4);
settable(t5,2,phi5);
settable(t6,4,phi6);
settable(t7,8,phi7);
settable(t8,8,phi8);
/* changing sign */
if( (exp_mode[A]=='4') && (exp_mode[C]=='a') )
{tsadd(t7,2,4); tsadd(t5,2,4); }
settable(t21,1,psi1); /*trosy and SE hsqc in reverse INPET */
settable(t22,1,psi2);
settable(t23,1,psi2c);
if(exp_mode[A]=='2') {settable(t31,2,rec);}
if(exp_mode[A]=='3') {settable(t31,4,rec);}
if(exp_mode[A]=='4') {settable(t31,8,rec);}
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); }
/* special case for swapping t2 and t3 for test purposes */
if( (exp_mode[A]=='4') && (exp_mode[B]=='x') && (ni3=1) )
{
text_error("Acquiring t3 axis in ni2 dimension (instead of t2), set nt to 8! ");
tau3 = 0.5*(d3_index/swC+0.5/swC)-pw-rof1 -pwC*2.0/M_PI ; /* increment corresponds to 13C increment */
tau3p = 0.5*(d3_index/swN+0.5/swN) -pw-rof1 -pwC -pwN*2.0/M_PI -tau3;
if(d3_index % 2) { tsadd(t7,2,4); tsadd(t8,2,4); tsadd(t31,2,4); }
if (phase2 == 2) {tsadd(t7 ,1,4); tsadd(t8 ,1,4);}
tau2=0.0;
}
else {
if (phase2 == 2) {tsadd(t2 ,1,4); tsadd(t12,1,4);}
if (phase3 == 2) {tsadd(t7 ,1,4); tsadd(t8 ,1,4);}
if(d3_index % 2) { tsadd(t2,2,4); tsadd(t12,2,4); tsadd(t31,2,4); }
tau3 = 0.5*(d4_index/swC+0.5/swC)-pw -rof1 -pwC*2.0/M_PI ; /* increment corresponds to 13C increment */
tau3p = 0.5*(d4_index/swN+0.5/swN) -pw -rof1 -pwC -pwN*2.0/M_PI -tau3;
if(d4_index % 2) { tsadd(t7,2,4); tsadd(t8,2,4); tsadd(t31,2,4); }
tau2 = d3;
tau2 += 0.0*(-pw*4.0/M_PI-rof1*2.0);
if((f2180[A] == 'y') && (ni2 > 0.0)) {tau2 += ( 1.0 / (2.0*sw2) ); }
if(tau2 < 0.2e-6) {tau2 = 0.0;}
tau2 = tau2/2.0;
}
/* simultaneous Ntrosy-ChsqcSE, last part */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 1) {icosel = 1; }
else { tsadd(t21,2,4); tsadd(t22,2,4); tsadd(t23,2,4); icosel = -1; }
if(d2_index % 2) { tsadd(t4,2,4); tsadd(t5,2,4); tsadd(t31,2,4); }
/* ECHO-ANTIECHO + STATES-TPPI t1, t1' in TROSY/HSQC last step */
tau1 = 1.0*d2_index/swC; /* increment corresponds to 13C increment */
tau1p = 1.0*d2_index*(1.0/swN-1.0/swC);
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
/* Destroy 13C magnetization*/
decrgpulse(pwC*1.0, zero, 0.0, 0.0);
zgradpulse(-gzlvl0, gt0);
delay(gstab);
/* NOESY */
if(exp_mode[A]!='2')
{ /* 3-4D */
if(exp_mode[A]=='4')
{ /* full 4D */
/* t3 evolution, the very first HSQC */
/* Hz -> HzXz INEPT */
rgpulse(pw,two,rof1,rof1); /* 1H pulse excitation */
zgradpulse(gzlvl7, gt0); delay(tauCH-gt0);
decrgpulse(pwC*2.0, zero, 0.0, 0.0); delay(tauNH -tauCH -pwC*2.0 );
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH - gt0 -gstab); zgradpulse(gzlvl7, gt0); delay(gstab);
rgpulse(pw, one, rof1, rof1);
/* water defoc-refoc */
delay(gstab); zgradpulse(gzlvl8, gt8); delay(gstab);
/* t3 time */
if((ni3==0))
{
dec2rgpulse(pwN,t7,0.0,0.0);
dec2rgpulse(pwN,two,0.0,0.0);
decrgpulse(pwC, t8, 0.0, 0.0);
decrgpulse(pwC, two, 0.0, 0.0);
rgpulse(pw*2.0, zero, rof1, rof1);
delay(pwN*2.0+pwC*2.0);
}
else
{
dec2rgpulse(pwN,t7,0.0,0.0);
delay(tau3p);
decrgpulse(pwC, t8, 0.0, 0.0);
delay(tau3);
rgpulse(pw*2.0, zero, rof1, rof1);
delay(tau3);
decrgpulse(pwC, two, 0.0, 0.0);
delay(tau3p);
dec2rgpulse(pwN,two,0.0,0.0);
}
/* water defoc-refoc */
delay(gstab); zgradpulse(gzlvl8, gt8); delay(gstab);
/* back inept, water to +Z */
rgpulse(pw,one,rof1,rof1);
zgradpulse(gzlvl9, gt0); delay(tauCH-gt0);
decrgpulse(pwC*2.0, zero, 0.0, 0.0); delay(tauNH -tauCH -pwC*2.0 );
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH - gt0 -gstab); zgradpulse(gzlvl9, gt0); delay(gstab);
rgpulse(pw, two, rof1, rof1);
/* purge */
zgradpulse(gzlvl10, gt10); delay(2.0*gstab);
} /*end of full 4D */
/************************* t2 evolution, 1H and NOE****************************** */
/* for the case of no flipbacks in NOE part of the experiment, shift first pulse
in t2 time by 45 deg and let water bring itself back at the end
of mixing time by radiation dumping */
if( (exp_mode[D]=='t') )
{ initval(1.0, v10);
obsstepsize(45.0);
xmtrphase(v10);
}
else
{
xmtrphase(zero);
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,t12,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
}
rgpulse(pw,t2,rof1,rof1);
xmtrphase(zero); /* SAPS_DELAY */
delay(tau2);
decrgpulse(2.0*pwC,zero,0.0,0.0); dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau2);
rgpulse(pw*2.0,zero,rof1,rof1);
delay(pwN*2.0+pwC*2.0 + SAPS_DELAY);
rgpulse(pw,zero,rof1,rof1);
if( (exp_mode[D]!='t') )
{
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc",pwHs,zero,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
}
/* NOESY period */
delay(mix-gt2-4.0*gstab );
zgradpulse(gzlvl2, gt2);
delay(4.0*gstab);
} /* end 3-4 D acquisition */
/* N-TROSY/C-HSQCse */
/* Hz -> HzXz INEPT */
rgpulse(pw,two,rof1,rof1); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0);
delay(tauCH-gt0);
decrgpulse(pwC*2.0, zero, 0.0, 0.0);
delay(tauNH -tauCH -pwC*2.0 );
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH - gt0 -gstab);
zgradpulse(gzlvl0, gt0);
delay(gstab);
rgpulse(pw, one, rof1, rof1);
/* on HzXz now */
/* water flipback*/
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc",pwHs,two,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
/* purge */
zgradpulse(gzlvl3, gt3);
dec2phase(t4);
delay(gstab*2.0);
/* t1 (C) and t1+t1'(N) evolution */
dec2rgpulse(pwN, t4, 0.0, 0.0);
delay(gt4+gstab + gt4+gstab + pwC*3.0
+2.0*(pwHs +2.0*rof1));
if(decCACO[A]=='y'){ delay(2.0*caco180pw);}
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau1p); /* t1 */
decrgpulse(pwC,t5,0.0,0.0);
delay(tau1*0.5);
if(decCACO[A]=='y')
{
decpower(caco180pwr);
decshaped_pulse(caco180shape,caco180pw,zero, 0.0, 0.0);
decpower(pwClvl);
}
obspower(ch180pwr); /*180 on methyls*/
shaped_pulse(ch180shape,ch180pw,zero,rof1,rof1);
obspower(tpwr);
delay(tau1*0.5);
zgradpulse(gzlvl4, gt4); /*coding */
delay(gstab + pwHs -ch180pw -2.0*GRADIENT_DELAY -2.0*POWER_DELAY -WFG_START_DELAY- WFG_STOP_DELAY);
decrgpulse(2.0*pwC,zero,0.0,0.0);
if(decCACO[A]=='y')
{
decpower(caco180pwr);
decshaped_pulse(caco180shape,caco180pw,zero, 0.0, 0.0);
decpower(pwClvl);
}
/* delay(ch180pw+2.0*rof1);*/
zgradpulse(gzlvl5, gt4);
delay(gstab - rof1 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY -WFG_START_DELAY- WFG_STOP_DELAY);
/*Water flipback (flipdown actually ) */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,three,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
/* reverse double INEPT */
sim3pulse(pw, pwC, 0.0, t21, t23, zero, rof1, rof1);
/* rgpulse(pw, t21, rof1, rof1); */
zgradpulse(gzlvl11, gt1);
delay(gstab);
delay(tauCH1 -gt1 -gstab -2.0*pwC
+ (-2.0/M_PI*pwC-0.5*(pwN-pwC) +pwN));
decrgpulse(2.0*pwC,zero,0.0,0.0);
delay(tauNH -tauCH1 - 0.65*(pw + pwN)-rof1 -(pwC-pw)
-(-2.0/M_PI*pwC-0.5*(pwN-pwC) +pwN) );
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl11, gt1);
delay(gstab);
delay(tauCH1-gt1 -gstab-2.0*pwC);
decrgpulse(2.0*pwC,zero,0.0,0.0);
delay(tauNH -1.3*pwN -tauCH1);
sim3pulse(pw, pwC, pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(tauCH2-2.0*pwC-gt1-gstab);
decrgpulse(2.0*pwC,zero,0.0,0.0);
delay(tauNH -1.3*pwN-tauCH2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(tauNH-1.6*pwN -POWER_DELAY -ch90pw*ch90corr -gt1-gstab +pwN*0.5 -PRG_START_DELAY);
/* delay(ch90pw*0.5);
sim3pulse(0.0,0.0, pwN, one, zero, t22, 0.0, 0.0);
delay(ch90pw*0.5);*/
/* sim3shaped_pulse(ch90shape,"hard","hard",ch90pw,0.0, pwN, zero,zero, t22,0.0,0.0);*/
/* ch90corr is a fraction of ch90pw to correct for a 1H phase rollcaused by shaped 90 on
CH3 protons for a sinc pulse ch90corr=0.41 seems to be good. */
obspower(ch90pwr);
txphase(one);
obsunblank(); xmtron();
obsprgon(ch90shape,1.0/ch90dmf,ch90dres); /*PRG_START_DELAY */
delay(ch90pw*ch90corr-pwN*0.5);
dec2rgpulse(pwN, t22, 0.0, 0.0);
delay(ch90pw*(1.0-ch90corr)-pwN*0.5);
obsprgoff(); xmtroff(); obsblank(); /*PRG_STOP_DELAY */
obspower(tpwr); /*POWER_DEALY */
delay( gstab +gt6 +2.0*GRADIENT_DELAY
+2.0*POWER_DELAY -0.65*pw -POWER_DELAY
+pwN*0.5 -ch90pw*(1.0-ch90corr)
-PRG_STOP_DELAY);
rgpulse(2.0*pw, zero, rof1, rof1);
dec2power(dpwr2); decpower(dpwr); /* 2.0*POWER_DELAY */
zgradpulse(gzlvl6*icosel, gt6); /* 2.0*GRADIENT_DELAY */
delay(gstab);
status(C);
setreceiver(t31);
}
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, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni = getval("ni"),
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
zeta = getval("zeta"), /* zeta delay, 0.006 for 1D, 0.011 for 2D*/
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeCH = 1.1e-3, /* other delays */
timeAB = 3.3e-3,
kappa = 5.4e-3,
lambda = 2.4e-3,
csa, sna,
pra = M_PI*getval("pra")/180.0,
bw, ofs, ppm, /* temporary Pbox parameters */
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 "biocal". SLP pulse shapes, "offC7" etc are called */
/* directly from your shapelib. */
pwC7, /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC7 ("offC7") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwH, /* H1 90 degree pulse length at tpwr1 */
tpwr1, /* 9.2 kHz rf magnet for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
ncyc_dec,
waltzB1=getval("waltzB1"),
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);
csa = cos(pra);
sna = sin(pra);
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
if (TROSY[A]=='y')
{settable(t8,2,phi8T);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,2,phi8);
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); }
/* set zeta to 6ms for 1D spectral check, otherwise it will be the */
/* value in the dg2 parameter set (about 11ms) for 2D/13C and 3D work */
if (ni>1) zeta = zeta;
else zeta = 0.006;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = 4095.0*(compC*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 > 4295 )
{ printf("increase pwClvl"); psg_abort(1);}
if(( rf2 < 4296 ) && (rf2>4095)) rf2=4095;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118m away */
pwC7 = getval("pwC7");
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 */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 128.0*ppm; ofs = bw;
offC1 = pbox_Rcal("square90n", bw, compC*pwC, pwClvl);
offC2 = pbox_Rcal("square180n", bw, compC*pwC, pwClvl);
bw = 118.0*ppm;
offC7 = pbox_make("offC7", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC1 = offC1.pw; rf1 = offC1.pwrf;
pwC2 = offC2.pw; rf2 = offC2.pwrf;
pwC7 = offC7.pw; rf7 = offC7.pwrf;
/* Example of semi-automatic calibration - use parameters, if they exist :
if ((autocal[0] == 's') || (autocal[1] == 's'))
{
if (find("pwC1") > 0) pwC1 = getval("pwC1");
if (find("rf1") > 0) rf1 = getval("rf1");
}
*/
}
/* power level and pulse times for DIPSI 1H decoupling */
DIPSI2time = 2.0*zeta + 2.0*timeTN - 5.4e-3 + pwC1 + 5.0*pwN + gt3 + 5.0e-5 + 2.0*GRADIENT_DELAY + 3.0*POWER_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); /* adjust pwH */
tpwr1 = 4095.0*(compH*pw/pwH);
tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni*1/(sw1) > timeAB - gt4 - WFG_START_DELAY - pwC7 )
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeAB - gt4 - WFG_START_DELAY - pwC7)*2.0*sw1))); psg_abort(1);}
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
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 ( 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 */
if(PRexp) /* set up Projection-Reconstruction experiment */
tau1 = d2*csa;
else
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 */
if(PRexp)
tau2 = d2*sna;
else
{
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 ACTUAL 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);
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 */
decphase(zero);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(one);
decphase(t3);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gt4=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);
}
decrgpulse(pwC, t3, 0.0, 0.0);
/* point a */
txphase(zero);
decphase(zero);
decpwrf(rf7);
delay(tau1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf2);
if ( pwC7 > 2.0*pwN)
{delay(timeCH - pwC7 - gt4 - WFG3_START_DELAY - 2.0*pw);}
else
{delay(timeCH - 2.0*pwN - gt4 - WFG3_START_DELAY - 2.0*pw);}
rgpulse(2.0*pw,zero,0.0,0.0);
delay(timeAB - timeCH);
decrgpulse(pwC2, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf7);
delay(timeAB - tau1 - gt4 - WFG_START_DELAY - pwC7 - 2.0e-6);
/* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
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 */
dec2phase(zero);
decpwrf(rf2);
delay(zeta - POWER_DELAY - PRG_START_DELAY);
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decpwrf(rf1);
dec2phase(t8);
delay(zeta);
/* point d */
decrgpulse(pwC1, zero, 0.0, 0.0);
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 */
}
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl3, gt3);
if (TROSY[A]=='y') { xmtroff(); obsprgoff(); }
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
/* point e */
decpwrf(rf2);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf7);
if (TROSY[A]=='y')
{
if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
txphase(t4);
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, 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 -pwC7 -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("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, 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 - pwC7 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(kappa -pwC7 -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 - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, 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-pwC7-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("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
} /* point f */
/* 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);
}
