pulsesequence()
{
char lkflg[MAXSTR];
getstr("lkflg",lkflg);
status(A);
dec3blank();
if (lkflg[A]=='y') lk_sample();
hsdelay(d1);
status(B);
pulse(p1, zero);
hsdelay(d2);
status(C);
pulse(pw,oph);
if (lkflg[A]=='y') lk_hold();
dec3unblank();
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
COrefoc[MAXSTR],
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeNCA = getval("timeNCA"),
timeC = getval("timeC"),
lambda = 1.0/(4.0*getval("JNH")),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwS1, /* length of square 90 on Ca */
phshift, /* phase shift induced on Ca by 180 on CO in middle of t1 */
pwS2, /* length of 180 on CO */
pwS = getval("pwS"), /* used to change 180 on CO in t1 for 1D calibrations */
pwZ, /* the largest of pwS2 and 2.0*pwN */
pwZ1, /* the largest of pwS2 and 2.0*pwN for 1D experiments */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("COrefoc",COrefoc);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
pwHs = 1.7e-3*500.0/sfrq; /* length of H2O flipback, 1.7ms at 500 MHz*/
widthHd = 34.0; /* bandwidth of H1 WALTZ16 decoupling, 7.3 kHz at 600 MHz */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* get calculated pulse lengths of shaped C13 pulses
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0); */
/* the 180 pulse on CO at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwS2 > 2.0*pwN) pwZ = pwS2; else pwZ = 2.0*pwN;
if ((pwS==0.0) && (pwS2>2.0*pwN)) pwZ1=pwS2-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwS = 180.0;
if ( pwS > 0 ) phshift = 130.0;
else phshift = 130.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("co");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (TROSY[A]=='y')
{txphase(two);
shiftedpulse("sinc", pwHs, 90.0, 0.0, two, 2.0e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
decphase(zero);
dec2phase(zero);
delay(timeTN - 0.5*kappa - WFG3_START_DELAY);
}
else
{txphase(zero);
shiftedpulse("sinc", pwHs, 90.0, 0.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(kappa - POWER_DELAY - PWRF_DELAY - pwHd - 4.0e-6 - PRG_START_DELAY);
/* delays for h1waltzon subtracted */
h1waltzon("WALTZ16", widthHd, 0.0);
decphase(zero);
dec2phase(zero);
delay(timeTN - kappa - WFG3_START_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0); /* pwS2 */
delay(timeNCA - timeTN - timeC);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
c13pulse("ca", "co", "sinc", 180.0, zero, 0.0, 0.0);
decphase(zero);
delay(timeNCA - timeC + 1.3*pwN);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0); /* pwS1 */
delay(timeC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); /* pwS2 */
delay(timeC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0); /* pwS1 */
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n') h1waltzoff("WALTZ16", widthHd, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
h1waltzon("WALTZ16", widthHd, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t3, 2.0e-6, 0.0); /* pwS1 */
decphase(zero);
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{
/* 2.0*pwS1/PI compensates for evolution at 64% rate during 90 */
if (tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - 0.5*pwZ - 2.0e-6
- 2.0*PWRF_DELAY - 2.0*POWER_DELAY > 0.0)
{
delay(tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - 0.5*pwZ - 2.0e-6 - 2.0*PWRF_DELAY - 2.0*POWER_DELAY);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(tau1 - 2.0*pwS1/PI - SAPS_DELAY - 0.5*pwZ - WFG_START_DELAY - 2.0e-6 - 2.0*PWRF_DELAY - 2.0*POWER_DELAY);
}
else
{
initval(180.0, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(2.0*tau1 - 4.0*pwS1/PI - SAPS_DELAY - WFG_START_DELAY - 2.0e-6 - PWRF_DELAY - POWER_DELAY);
}
/* delay(tau1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
delay(tau1);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);*/
}
else if (ni==1.0)
{
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1 + WFG_START_DELAY);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, pwS, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0);
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else
{
delay(10.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(10.0e-6);
/* delay(tau1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0);
delay(tau1);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,zero, zero, zero, 2.0e-6, 0.0); */
}
decphase(t5);
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* pwS1 */
h1waltzoff("WALTZ16", widthHd, 0.0);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
set_c13offset("co");
/* xxxxxxxxxxxxxxxxxxxx N15 EVOLUTION & SE TRAIN xxxxxxxxxxxxxxxxxxxxxxx */
ihn_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B] == 'y') lk_sample();
}
pulsesequence()
{
double slpwrT = getval("slpwrT"),
slpwT = getval("slpwT"),
mixT = getval("mixT"),
trim = getval("trim"),
tauz1 = getval("tauz1"),
tauz2 = getval("tauz2"),
tauz3 = getval("tauz3"),
tauz4 = getval("tauz4"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
gstab = getval("gstab"),
selfrq = getval("selfrq");
char selshapeA[MAXSTR], selshapeB[MAXSTR], slpatT[MAXSTR],
alt_grd[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
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("slpatT",slpatT);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
getstr("alt_grd",alt_grd);
/* alternate gradient sign on every 2nd transient */
if (strcmp(slpatT,"mlev17c") &&
strcmp(slpatT,"dipsi2") &&
strcmp(slpatT,"dipsi3") &&
strcmp(slpatT,"mlev17") &&
strcmp(slpatT,"mlev16"))
abort_message("SpinLock pattern %s not supported!.\n", slpatT);
assign(ct,v17);
assign(v17,v6);
if (getflag("zqfilt"))
{ hlv(v6,v6); hlv(v6,v6); }
settable(t1,4,ph1); getelem(t1,v6,v1);
settable(t3,8,ph3); getelem(t3,v6,v11);
settable(t4,8,ph4);
settable(t5,4,ph5); getelem(t5,v6,v5);
settable(t2,4,ph2); getelem(t2,v6,v2);
settable(t7,8,ph7); getelem(t7,v6,v7);
settable(t8,4,ph8); getelem(t8,v6,v8);
settable(t11,16,phs8); getelem(t11,v6,v3); /* 1st echo in ES */
settable(t12,16,phs9); getelem(t12,v6,v4); /* 2nd exho in ES */
if (getflag("zqfilt"))
getelem(t4,v6,oph);
else
assign(v1,oph);
add(oph,v5,oph); mod4(oph,oph);
sub(v2,one,v21);
add(v21,two,v23);
mod4(ct,v10);
if (alt_grd[0] == 'y') mod2(ct,v12); /* alternate gradient sign on every 2nd transient */
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
if (getflag("lkgate_flg")) lk_sample(); /* turn lock sampling on */
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
delay(d1);
if (getflag("lkgate_flg")) lk_hold(); /* turn lock sampling off */
status(B);
rgpulse(pw, v1, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
ifzero(v12); zgradpulse(gzlvlA,gtA);
elsenz(v12); zgradpulse(-gzlvlA,gtA); endif(v12);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v1,rof1,rof1);
obspower(tpwr);
ifzero(v12); zgradpulse(gzlvlA,gtA);
elsenz(v12); zgradpulse(-gzlvlA,gtA); endif(v12);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
ifzero(v12); zgradpulse(gzlvlB,gtB);
elsenz(v12); zgradpulse(-gzlvlB,gtB); endif(v12);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v2,rof1,rof1);
obspower(slpwrT);
ifzero(v12); zgradpulse(gzlvlB,gtB);
elsenz(v12); zgradpulse(-gzlvlB,gtB); endif(v12);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
if (mixT > 0.0)
{
rgpulse(trim,v11,0.0,0.0);
if (dps_flag)
rgpulse(mixT,v21,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v21);
}
if (getflag("zqfilt"))
{
obspower(tpwr);
rgpulse(pw,v7,1.0e-6,rof1);
ifzero(v10); delay(tauz1); endif(v10);
decr(v10);
ifzero(v10); delay(tauz2); endif(v10);
decr(v10);
ifzero(v10); delay(tauz3); endif(v10);
decr(v10);
ifzero(v10); delay(tauz4); endif(v10);
rgpulse(pw,v8,rof1,2.0e-6);
}
ExcitationSculpting(v3,v4,v12);
delay(rof2);
status(C);
}
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);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCTCa[MAXSTR], /* Flag for CT or non_CT on Ca dimension */
sel_flg[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
pwS4, /* selective CO 180 */
pwS3, /* selective Ca 180 */
pwS1, /* selecive Ca 90 */
pwS2, /* selective CO 90 */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCTCa",fCTCa);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
dpwr = getval("dpwr");
dpwr3 = getval("dpwr3");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
pwS1=c13pulsepw("ca", "co", "square", 90.0);
pwS2=c13pulsepw("co", "ca", "sinc", 90.0);
pwS3=c13pulsepw("ca", "co", "square", 180.0);
pwS4=c13pulsepw("co", "ca", "sinc", 180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 50.0e-6)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t5,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t1,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t5,1,4); tsadd(t1,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = 1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ca/swTilt;
tau2 = 1.0*t1_counter*cos_CO/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS4 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS4)*2.0*swTilt/cos_N))); psg_abort(1);}
if ((fCTCa[A]=='y') && (bigTCa - 0.5*ni*(cos_Ca/swTilt) - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6))
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTCa -WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6)/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
if (bigTCo - 0.5*ni*(cos_CO/swTilt) - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
printf(" ni is too big for CO. Make ni equal to %d or less.\n",
(int) ((bigTCo - 4.0e-6 - POWER_DELAY) / (0.5*cos_CO/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
set_c13offset("ca"); /* set Dec1 carrier at Ca */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
zero, zero, zero, 2.0e-6, 0.0);
set_c13offset("co"); /* set Dec1 carrier at Co */
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); dec2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxx 13CO to 13CA TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt10 - 100.2e-6 - (0.5*10.933*pwC));
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - 4.0e-6 - gt10 - 100.2e-6 - (0.5*10.933*pwC));
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0);
if (fCTCa[A]=='y')
{
/* Constant t2 */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1);
decoff();
decprgoff();
decpower(pwClvl);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwS4
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
decpower(pwClvl);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
initval(1.0,v3);
decstepsize(140);
dcplrphase(v3);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
}
/* non_constant t2 */
else
{
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decstepsize(1.0);
initval(sphase1, v3);
dcplrphase(v3);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
}
decpower(pwClvl);
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl12, gt12);
delay(gstab);
/* xxxxxxxxxxxxxxx 13CA to 13CO TRANSFER and CT 13CO EVOLUTION xxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
delay(taud - 4.0*pwN - POWER_DELAY
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY));
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
decphase(t8);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
delay(bigTCo - taud
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY) );
c13pulse("co", "ca", "sinc", 180.0, t8, 0.0, 0.0);
dcplrphase(zero); decphase(one);
delay(bigTCo - tau2 - POWER_DELAY - 4.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS4);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
txphase(zero);
dec2phase(t4);
delay(bigTN - gt5 - gstab -0.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwS3 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 4.0e-6, 0.0);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(50.0e-6);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(50.0e-6);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 2.0*POWER_DELAY);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
void pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
CT_flg[MAXSTR],
n15_flg[MAXSTR];
int icosel,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,max,
kappa,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
scale = getval("scale"),
sw1 = getval("sw1"),
timeTN = getval("timeTN"),
timeTN1,
Delta,
t2a,t2b,halfT2,ctdelay,
tauNCO = getval("tauNCO"),
CTdelay = getval("CTdelay"),
tauC = getval("tauC"),
tau1, tau2,
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("CT_flg",CT_flg);
getstr("n15_flg",n15_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,1,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t14,4,phi14);
settable(t24,4,phi24);
/* INITIALIZE VARIABLES */
timeTN1= timeTN-tauC;
Delta = timeTN-tauC-tauNCO;
//shpw1 = pw*8.0;
shlvl1=tpwr;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if (CT_flg[0] == 'y')
{
if ( ni*1/(sw1)/2.0 > (CTdelay*0.5-gt3-1.0e-4))
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((CTdelay*0.5-gt3-1.0e-4)*2.0*sw1))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) {tsadd(t1,1,4);}
if ( phase2 == 2 )
{
tsadd ( t3,2,4 );
tsadd ( t5,2,4 );
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; }
/************************************************************/
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t4,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
/************************************************************/
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
/************************************************************/
ctdelay = timeTN1-gt1-1.0e-4;
// ctdelay = timeTN1-gt1-1.0e-4-2.0*GRADIENT_DELAY-4*POWER_DELAY-4*PWRF_DELAY-(4/PI)*pwN;
if (ni2 > 1)
{
halfT2 = 0.5*(ni2-1)/sw2;
t2b = (double) t2_counter*((halfT2 - ctdelay)/((double)(ni2-1)));
if( ix==1 && halfT2 - timeTN > 0 ) printf("SCT mode on, max ni2=%g\n",timeTN*sw2*2+1);
if(t2b < 0.0) t2b = 0.0;
t2a = ctdelay - tau2*0.5 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
}
else
{
t2b = 0.0;
t2a = ctdelay - tau2*0.5;
}
/************************************************************/
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(1.0e-4);
delay(d1-gt4);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
if(n15_flg[0]=='y') h_shapedpulse("pc9f_",shbw,shofs,three, 0.0, 0.0);
else h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
zgradpulse(gzlvl4, gt4*4.0);
delay(1.0e-4);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN1);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-Delta-pwS3+pwN*4.0/3.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
dec2rgpulse(pwN,one,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
if(CT_flg[0]=='y')
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(CTdelay*0.5-gt3-1.0e-4);
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(CTdelay*0.5-gt3-1.0e-4-tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
else
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
set_c13offset("co");
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA back transfer xxxxxxxxxxxxxxx */
/**************************************************************************/
obspower(shlvl1);
dec2rgpulse(pwN,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
// delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3);
delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3-2.0*GRADIENT_DELAY+4*POWER_DELAY+4*PWRF_DELAY);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(Delta);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay (t2b);
dec2rgpulse (2.0*pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay (t2a);
/**************************************************************************/
/** gradient-selected TROSY sequence *********/
/**************************************************************************/
delay(gt1/10.0+1.0e-4);
h_shapedpulse("eburp2_",shbw,shofs,t3, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay(gt1/10.0+1.0e-4);
dec2rgpulse(pwN,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(lambda-pwS6*0.5-gt6);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt6);
delay(lambda-pwS6*0.5-gt6);
dec2rgpulse(pwN,t5,0.0,0.0);
/**************************************************************************/
zgradpulse(-icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
lk_sample();
if (n15_flg[0] =='y')
{
setreceiver(t14);
}
else
{
setreceiver(t24);
}
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
gt0,
gt1,
gt2,
gt3,
gt4,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
decstep1,
bw, ofs, ppm,
pwd1,
dpwr3_D,
pwd,
tpwrs,
pwHs,
dof_me,
tof_dtt,
tpwrs1,
pwHs1,
dpwrsed,
pwsed,
dressed,
rfrb_cg,
pwrb_cg;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
tofps = getval("tofps");
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
BigTC1 = getval("BigTC1");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
decstep1 = getval("decstep1");
pwd1 = getval("pwd1");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
pwHs1 = pwHs;
tpwrs=-16.0; tpwrs1=tpwrs;
tof_dtt = getval("tof_dtt");
dpwrsed = -16;
pwsed = 1000.0;
dressed = 90.0;
pwrb_cg = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 136.0*ppm;
cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl);
if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! ");
if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! ");
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs); tpwrs1=tpwrs;
dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres;
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,8,phi7);
settable(t8,1,phi8);
settable(t9,2,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(dpwr3_D > 49)
{
printf("dpwr3_D is too high; < 50\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if(dpwrsed > 48)
{
printf("dpwrsed must be less than 49\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
if(ix==1) {
printf("make sure that BigTC1 is set properly for your application\n");
printf("7 ms, neglecting relaxation \n");
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t1,1,4);
tsadd(t2,1,4);
tsadd(t3,1,4);
tsadd(t4,1,4);
}
if (phase2 == 2)
tsadd(t8,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 2.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to low power */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
decoffset(dof_me);
lk_hold();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs1);
shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab);
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
if(C_flg[A] == 'n') {
decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6);
decprgon(cosed.name,pwsed,dressed);
decon();
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1);
decoff();
decprgoff();
decblank();
decpower(pwClvl);
}
else
simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6);
decrgpulse(pwC,t5,2.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t6);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t6,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t7);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2H decoupling off */
decrgpulse(pwC,t7,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t8);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t8,4.0e-6,0.0);
decoffset(dof_me);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 -gstab
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - POWER_DELAY - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE 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);
}
pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
SE_flg[MAXSTR];
int icosel = 0,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl6 = getval("gzlvl6"),
gzlvl5 = getval("gzlvl5"),
gt1 = getval("gt1"),
gt6 = getval("gt6"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
shlvl1 = getval("shlvl1"),
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
d2 = getval("d2"),
timeTN = getval("timeTN"),
timeTN1,
Delta,
tauNCO = getval("tauNCO"),
tauC = getval("tauC"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("SE_flg",SE_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t10,1,phi10);
settable(t12,4,phi12);
settable(t13,4,phi13);
/* INITIALIZE VARIABLES */
timeTN1= timeTN-tauC;
Delta = timeTN-tauC-tauNCO;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS4 = h_shapedpw("eburp2",4.0,3.5,zero, 0.0, 0.0);
pwS5 = h_shapedpw("reburp",4.0,3.5,zero, 0.0, 0.0);
pwS6 = h_shapedpw("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
if (SE_flg[0] == 'y')
{
if ( ni2*1/(sw2)/2.0 > (timeTN1-Delta-pwS3-pwS4))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN1-Delta-pwS3-pwS4)*2.0*sw2))); psg_abort(1);}
}
else
{
if ( ni2*1/(sw2)/2.0 > (timeTN1-Delta-pwS3))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN1-Delta-pwS3)*2.0*sw2))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
if (SE_flg[0] =='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else
{
if (phase2 == 2) {tsadd(t3,1,4); icosel = 1;}
}
tau1 = d2;
if((f1180[A] == 'y') )
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
tau2 = d3;
if((f2180[A] == 'y') )
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
status(A);
decpower(pwClvl);
dec2power(pwNlvl);
set_c13offset("co");
zgradpulse(gzlvl6, gt6);
delay(d1-gt6 +1.0e-4);
lk_hold();
rcvroff();
h_shapedpulse("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_shapedpulse("pc9f_",4.0,3.5,one, 2.0e-6, 0.0);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN1);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-Delta-pwS3+pwN*4.0/3.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauC-taunh*0.5-shpw1+pwS2+pwS7);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
delay(taunh*0.5-pwS2-pwS7);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
dec2rgpulse(pwN,zero,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 0.0,
zero, zero, zero, 0.0, 0.0);
if (pwN*2.0 > pwS3) delay(pwN*2.0-pwS3);
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
set_c13offset("co");
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
obspower(shlvl1);
dec2rgpulse(pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC-taunh*0.5-shpw1);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
delay(taunh*0.5);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
/**************************************************************************/
if (SE_flg[0] == 'y')
{
delay(tau2*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN1+pwN*4.0/3.0-shpw1-gt1-1.0e-4);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-tau2*0.5-pwS4-Delta-pwS3);
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
dec2rgpulse(pwN, t10, 0.0, 0.0);
}
else
{
delay(tau2*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN1+pwN*4.0/3.0-shpw1);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-tau2*0.5-Delta-pwS3);
dec2rgpulse(pwN, zero, 0.0, 0.0);
}
/**************************************************************************/
if (SE_flg[0] == 'y')
{
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
dec2rgpulse(pwN, one, 0.0, 0.0);
h_shapedpulse("eburp2_",4.0,3.5,one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_shapedpulse("eburp2",4.0,3.5,zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
h_shapedpulse("reburp",4.0,3.5,zero, 0.0, 0.0);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5-POWER_DELAY-1.0e-4);
}
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
setreceiver(t13);
else
setreceiver(t12);
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
double Dtau,Ddelta,dosytimecubed,dosyfrq,CORR,del2check,del2max,
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvl2 = getval("gzlvl2"),
gt2 = getval("gt2"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
del = getval("del"),
del2 = getval("del2"),
gstab = getval("gstab"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
kappa = getval("kappa"),
gzlvlmax = getval("gzlvlmax"),
satdly = getval("satdly"),
satpwr = getval("satpwr"),
satfrq = getval("satfrq");
char delflag[MAXSTR],sspul[MAXSTR],satmode[MAXSTR],
triax_flg[MAXSTR],alt_grd[MAXSTR],lkgate_flg[MAXSTR];
nt = getval("nt");
getstr("delflag",delflag);
getstr("sspul",sspul);
getstr("triax_flg",triax_flg);
getstr("satmode",satmode);
getstr("alt_grd",alt_grd);
getstr("lkgate_flg",lkgate_flg);
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",0.5);
gzlvl1 = syncGradLvl("gt1","gzlvl1",0.5);
CORR=1.5*gt1+3*gstab+3.0*pw+5*rof1;
if (ni > 1.0)
abort_message("This is a 2D, not a 3D dosy sequence: please set ni to 0 or 1");
/* check the shortest executable delay in the sequence */
if ((del-2.0*CORR-gt2-gt3)< 0.0)
abort_message("The minimum value of del is %.6f seconds", 2*CORR+gt2+gt3);
del2check = del/2.0-CORR-fabs(del2)-gt3;
del2max = del/2.0-CORR-gt3;
if (del2check< 0.0)
abort_message("del2 in absolute value cannot exceed %.6f seconds",del2max);
if (gzlvl1*(1+kappa)>gzlvlmax)
abort_message("Warning: 'gzlvl1*(1+kappa)>gzlvlmax");
Ddelta = gt1;
Dtau = 2.0*pw+2.0*rof1+gstab+gt1/2.0;
dosyfrq = getval("sfrq");
dosytimecubed = Ddelta*Ddelta*(del-2.0*(Ddelta/3.0)-2.0*(Dtau/2.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
/* phase cycling calculation */
settable(t1, 8, phi1);
settable(t2, 8, phi2);
settable(t3, 1, phi3);
settable(t4, 4, phi4);
settable(t5,16, phi5);
settable(t6, 1, phi6);
settable(t7, 1, phi7);
settable(t8,32, phi8);
settable(t9, 1, phi9);
settable(t10, 1, phi10);
settable(t11, 16, rec);
sub(ct,ssctr,v12);
getelem(t1,v12,v1);
getelem(t2,v12,v2);
getelem(t3,v12,v3);
getelem(t4,v12,v4);
getelem(t5,v12,v5);
getelem(t6,v12,v6);
getelem(t7,v12,v7);
getelem(t8,v12,v8);
getelem(t9,v12,v9);
getelem(t10,v12,v10);
getelem(t11,v12,oph);
mod2(ct,v11); /* gradients change sign at odd transients */
/* equilibrium period */
status(A);
if (sspul[0]=='y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (satmode[0] == 'y')
{
if (d1>satdly) delay(d1-satdly);
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(satdly,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
}
else delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
/* first part of bppste sequence */
if(delflag[0]=='y')
{
if(gt1>0 && gzlvl1!=0)
{
if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(2*kappa*gzlvl1,gt1/2.0); /* comp. gradient */
elsenz(v11);
zgradpulse(-2.0*kappa*gzlvl1,gt1/2.0); /* comp. gradient */
endif(v11);
}
else zgradpulse(2*kappa*gzlvl1,gt1/2.0); /* comp. gradient */
delay(gstab);
if (triax_flg[0] == 'y') /* homospoil grad */
{ rgradient('x',-1.0*gzlvl2); /* along x if available */
delay(gt2);
rgradient('x',0.0); }
else
{
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*gzlvl2,gt2); /*spoiler comp. gradient*/
elsenz(v11);
zgradpulse(1.0*gzlvl2,gt2); /*spoiler comp. gradient*/
endif(v11);
}
else zgradpulse(-1.0*gzlvl2,gt2); /*spoiler comp. gradient*/
}
rgpulse(pw, v1, rof1, rof1); /* first 90, v1 */
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-1.0*(1-kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2, v2, rof1, rof1); /* first 180, v2 */
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse((1+kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw, v3, rof1, rof1); /* second 90, v3 */
if (triax_flg[0] == 'y') /* homospoil grad */
{ rgradient('x',gzlvl2); /* along x if available */
delay(gt2);
rgradient('x',0.0); }
else
{
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(gzlvl2,gt2); /*spoiler gradient*/
elsenz(v11);
zgradpulse(-1.0*gzlvl2,gt2); /*spoiler gradient*/
endif(v11);
}
else zgradpulse(gzlvl2,gt2); /*spoiler gradient*/
}
delay(gstab);
if (satmode[1] == 'y')
{
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(del/2.0-CORR+del2-gt2-gstab-2*rof1,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
}
else delay(del/2.0-CORR+del2-gt2-gstab);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-2.0*kappa*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw, v4, rof1, rof1); /* third 90, v4 */
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-1.0*(1-kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-1.0*(1-kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(2*pw,v5,rof1,rof1);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse((1+kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse((1+kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw,v6,rof1,rof1);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-2.0*kappa*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
if (satmode[1] == 'y')
{
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(del/2.0-CORR-del2-gt3-2*rof1,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
}
else delay(del/2.0-CORR-del2-gt3);
if (triax_flg[0] == 'y') /* homospoil grad */
{ rgradient('y',gzlvl3); /* along y if available */
delay(gt3);
rgradient('y',0.0); }
else
{
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(gzlvl3,gt3); /* 2nd spoiler gradient */
elsenz(v11);
zgradpulse(-1.0*gzlvl3,gt3); /* 2nd spoiler gradient */
endif(v11);
}
else zgradpulse(gzlvl3,gt3); /* 2nd spoiler gradient */
}
delay(gstab);
rgpulse(pw,v7,rof1,rof1);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-1.0*(1-kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse((1-kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2, v8, rof1, rof1); /* second 180, v8 */
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse((1+kappa)*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(-1.0*(1+kappa)*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw,v9,rof1,rof1); /* z- filter */
if (triax_flg[0] == 'y') /* homospoil grad */
{ rgradient('y',-1.0*gzlvl3); /* along y if available */
delay(gt3);
rgradient('y',0.0); }
else
{
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(-1.0*gzlvl3,gt3); /* 2nd spoiler comp. gradient */
elsenz(v11);
zgradpulse(gzlvl3,gt3); /* 2nd spoiler comp. gradient */
endif(v11);
}
else zgradpulse(-1.0*gzlvl3,gt3); /* 2nd spoiler comp. gradient */
}
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v11);
zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
elsenz(v11);
zgradpulse(-2.0*kappa*gzlvl1,gt1/2.0);
endif(v11);
}
else zgradpulse(2.0*kappa*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw,v10,rof1,rof2);
if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock sampling on */
}
}
else rgpulse(pw, oph,rof1,rof2);
/* --- observe period --- */
status(C);
}
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 */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
RELAY[MAXSTR], /* Insert HCCH-relay delay */
ribose[MAXSTR], /* ribose CHn groups only */
aromatic[MAXSTR], /* aromatic CHn groups only */
rna_stCshape[MAXSTR], /* calls sech/tanh pulses from shapelib */
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
mag_flg[MAXSTR], /* Flag to use magic-angle gradients */
H2O_flg[MAXSTR],
sspul[MAXSTR],
SHAPE[MAXSTR],
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int 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 */
delta1,delta2,
ni = getval("ni"),
lambda = 0.94/(4*getval("JCH")), /* 1/4J H1 evolution delay */
tCH = 1/(6.0*getval("JCH")), /* 1/4J C13 evolution delay */
tCC = 1/(8*getval("JCC")),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
/* Sech/tanh inversion pulses automatically calculated by macro "rna_cal" */
/* and string parameter rna_stCshape calls them from your shapelib. */
rfst = 0.0, /* fine power for the rna_stCshape pulse, initialised */
dofa, /* dof shifted to 80 or 120ppm for ribose or aromatic spectra */
/* string parameter stCdec calls stud decoupling waveform from your shapelib.*/
studlvl, /* coarse power for STUD+ decoupling */
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt8 = getval("gt8"),
gt9 = getval("gt9"),
gzcal = getval("gzcal"),
grecov = getval("grecov"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl7 = getval("gzlvl7"), /* triax option */
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9");
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("RELAY",RELAY);
getstr("ribose",ribose);
getstr("aromatic",aromatic);
getstr("H2O_flg",H2O_flg);
getstr("sspul",sspul);
getstr("SHAPE",SHAPE);
getstr("STUD",STUD);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 50ppm sech/tanh inversion */
rfst = (compC*4095.0*pwC*4000.0*sqrt((7.5*sfrq/600+3.85)/0.41));
rfst = (int) (rfst + 0.5);
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 50.0*ppm; pws = 0.001; ofs = 0.0; nst = 500.0;
stC50 = pbox_makeA("rna_stC50", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rfst = stC50.pwrf;
}
strcpy(rna_stCshape, "rna_stC50");
strcpy(rna_stCdec, "wurst80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* RIBOSE spectrum only, centered on 80ppm. */
if (ribose[A]=='y')
dofa = dof - 30.0*dfrq;
/* AROMATIC spectrum only, centered on 120ppm */
else
dofa = dof + 10*dfrq;
/* CHECK VALIDITY OF PARAMETER RANGES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' ))
{ printf("incorrect Dec1 decoupler flags! "); psg_abort(1);}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ printf("incorrect Dec2 decoupler flags! "); psg_abort(1);}
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ printf("Deuterium decoupling power too high ! "); 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); }
/* CHOICE OF PULSE SEQUENCE */
if ( ((ribose[A]=='y') && (aromatic[A]=='y')) )
{ text_error("Choose ONE of ribose='y' OR aromatic='y' ! ");
psg_abort(1); }
if ( ((aromatic[A]=='y') && (RELAY[A]=='y')) )
{ text_error("No RELAY with aromatic='y' ! ");
psg_abort(1); }
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 4, phi2);
settable(t3, 16, phi3);
settable(t4, 2, phi4);
settable(t11,8, rec);
/* INITIALIZE VARIABLES */
/* Phase incrementation for hypercomplex data */
if ( phase1 == 2 ) /* Hypercomplex in t1 */
tsadd(t1,1,4);
if ( phase2 == 2 )
tsadd(t2,1,4);
/* 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(t11,2,4);
}
/* calculate modification to phases based on current t2 values
to achieve States-TPPI acquisition */
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);
}
/* 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 < 1.0e-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;
if(f2180[A] == 'y')
{
tau2 += (1.0/(2.0*sw2));
}
if (tau2 < 1.0e-6) tau2 = 0.0;
tau2 = tau2/2.0;
if (ni > 1)
delta1 = (double)(t1_counter*(lambda - gt5 - 0.2e-3))/((double)(ni-1));
else delta1 = 0.0;
if (ni2 > 1)
delta2 = (double)(t2_counter*(tCC - 0.6e-3))/((double)(ni2-1));
else delta2 = 0.0;
initval(7.0, v1);
obsstepsize (45.0);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
obspower(tpwr-12);
decpower(pwClvl);
decpwrf(rfC);
dec2power(pwNlvl);
decphase(zero);
dec2phase(zero);
if (sspul[0] == 'y')
{
rgpulse(200*pw, one, 10.0e-6, 0.0e-6);
rgpulse(200*pw, zero, 0.0e-6, 1.0e-6);
}
obspower(tpwr);
xmtrphase(v1);
txphase(t1);
if (dm3[B] == 'y') lk_sample();
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
decrgpulse(pwC, zero, rof1, rof1);
delay(rof1);
zgradpulse(gzlvl0,0.5e-3);
delay(grecov);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
status(B);
rgpulse(pw, t1, 1.0e-4, rof1);
xmtrphase(zero);
txphase(zero);
zgradpulse(gzlvl5,gt5);
/*
decpwrf(rfst);
delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY - POWER_DELAY -
WFG2_START_DELAY - 0.5e-3 + 70.0e-6 + tau1);
decshaped_pulse(rna_stCshape, 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - delta1);
rgpulse(2.0*pw, zero, 0.0, rof1);
txphase(one);
decpwrf(rfC);
zgradpulse(gzlvl5,gt5);
delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY - POWER_DELAY - 0.5e-3 + 70.0e-6);
*/
delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY + tau1);
decrgpulse(2*pwC, zero, 0.0, 0.0);
delay(tau1 - delta1);
rgpulse(2.0*pw, zero, 0.0, rof1);
txphase(one);
zgradpulse(gzlvl5,gt5);
delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY);
rgpulse(pw, one, 0.0, rof1);
decphase(t2);
txphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl3,gt3);
else
zgradpulse(gzlvl3,gt3);
delay(grecov);
decrgpulse(pwC, t2, rof1, 0.0);
decphase(zero);
delay(tau2);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tCH - 2*pwN);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decphase(t3);
delay(tCC - tCH + tau2 - delta2 - 2.0*pw);
decrgpulse(2.0*pwC, t3, 0.0, 0.0);
decphase(t4);
delay(tCC - delta2);
decrgpulse(pwC, t4, 0.0, rof1);
txphase(zero);
decphase(zero);
if(RELAY[A] == 'y')
{
zgradpulse(gzlvl4, gt4);
delay(tCC - gt4 - GRADIENT_DELAY - pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(tCC - gt4 - GRADIENT_DELAY - pwC);
decrgpulse(pwC, zero, 0.0, 0.0);
}
zgradpulse(gzlvl4,gt4);
delay(tCC - gt4);
decrgpulse(2.0*pwC, zero, 0.0, rof1);
if (H2O_flg[A] == 'y')
{
delay(tCC - gt4 - grecov - POWER_DELAY);
zgradpulse(gzlvl4,gt4);
txphase(one);
decphase(one);
delay(grecov);
decrgpulse(pwC, one, 0.0, rof1);
rgpulse(900*pw, one, 0.0, rof1);
txphase(zero);
rgpulse(500*pw, zero, rof1, rof1);
decphase(one);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl7,gt7);
else
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
simpulse(pw, pwC, zero, one, 0.0, rof1);
decphase(zero);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, rof1);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4);
}
else
{
delay(tCC - tCH - 2.0*pw - POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4 - rof1);
}
decrgpulse(pwC, zero, 0.0, rof1);
txphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl8,gt8);
else
zgradpulse(gzlvl8,gt8);
delay(grecov);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
rgpulse(pw, zero, 0.0, rof1);
if (SHAPE[A] =='y')
{
decpwrf(rfst);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
delay(lambda - gt9 - GRADIENT_DELAY - POWER_DELAY - WFG2_START_DELAY - 0.5e-3 + 70.0e-6);
simshaped_pulse("",rna_stCshape,2*pw, 1.0e-3, zero, zero, 0.0, rof1);
decphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
decpwrf(rfC);
if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr);
delay(lambda - gt9 -rof1 -0.5*pw - 2*POWER_DELAY - GRADIENT_DELAY - 0.5e-3 + 70.0e-6);
}
else
{
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
delay(lambda - gt9 - GRADIENT_DELAY);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, rof1);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr);
delay(lambda - gt9 -rof1 -0.5*pw - POWER_DELAY - GRADIENT_DELAY);
}
rgpulse(pw, zero, rof1, rof2);
rcvron();
if (dm3[B] == 'y') lk_sample();
setreceiver(t11);
if ((STUD[A]=='y') && (dm[C] == 'y'))
{
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
setreceiver(t11);
}
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);
}
void pulsesequence()
{
double Dtau,Ddelta,dosytimecubed,dosyfrq,delcor,
del = getval("del"),
gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
satpwr = getval("satpwr"),
satdly = getval("satdly"),
satfrq = getval("satfrq");
char delflag[MAXSTR],sspul[MAXSTR],
alt_grd[MAXSTR],satmode[MAXSTR],lkgate_flg[MAXSTR];
getstr("delflag",delflag);
getstr("satmode",satmode);
getstr("alt_grd",alt_grd);
getstr("lkgate_flg",lkgate_flg);
getstr("sspul",sspul);
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",0.5);
gzlvl1 = syncGradLvl("gt1","gzlvl1",0.5);
/* In pulse sequence, minimum del=4.0*pw+3*rof1+gt1+2.0*gstab */
if (del < (4*pw+3.0*rof1+gt1+2.0*gstab))
{ abort_message("Dbppste error: 'del' is less than %g, too short!",
(4.0*pw+3*rof1+gt1+2.0*gstab));
}
Ddelta=gt1;
Dtau=2.0*pw+rof1+gstab+gt1/2.0;
dosyfrq = sfrq;
dosytimecubed=Ddelta*Ddelta*(del-(Ddelta/3.0)-(Dtau/2.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
/* Check for the validity of the number of transients selected !
if ( (nt != 4) && ((int)nt%16 != 0) )
{ abort_message("Dbppste error: nt must be 4, 16, 64 or n*16 (n: integer)!");
} */
/* phase cycling calculation */
mod2(ct,v1); dbl(v1,v1); hlv(ct,v2);
mod2(v2,v3); dbl(v3,v3); hlv(v2,v2);
mod2(v2,v4); add(v1,v4,v1); /* v1 */
hlv(v2,v2); add(v2,v3,v4); /* v4 */
hlv(v2,v2); mod2(v2,v3); dbl(v3,v5);
hlv(v2,v2); mod2(v2,v3); dbl(v3,v3); /* v3 */
hlv(v2,v2); mod2(v2,v6); add(v5,v6,v5); /* v5 */
hlv(v2,v2); mod2(v2,v2); dbl(v2,v2); /* v2 */
assign(v1,oph); dbl(v2,v6); sub(oph,v6,oph);
add(v3,oph,oph); sub(oph,v4,oph); dbl(v5,v6);
add(v6,oph,oph); mod4(oph,oph); /*receiver phase*/
add(two,oph,oph);
mod2(ct,v10); /* gradients change sign at odd transients */
if (ni > 1.0)
{ abort_message("Dbppste is a 2D, not a 3D dosy sequence: please set ni to 0 or 1");
}
/* equilibrium period */
status(A);
if (sspul[0]=='y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (satmode[0] == 'y')
{
if (d1 - satdly > 0) delay(d1 - satdly);
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(satdly,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
delay(1.0e-5);
}
else
{ delay(d1); }
if (getflag("wet"))
wet4(zero,one);
status(B);
/* first part of bppdel sequence */
if (delflag[0]=='y')
{ if (gt1>0 && gzlvl1>0)
{ rgpulse(pw, v1, rof1, 0.0); /* first 90, v1 */
if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
endif(v10);
}
else zgradpulse(gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2.0, v2, rof1, 0.0); /* first 180, v2 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(gzlvl1,gt1/2.0);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw, v3, rof1, 0.0); /* second 90, v3 */
delcor = del-4.0*pw-3.0*rof1-gt1-2.0*gstab;
if (satmode[1] == 'y')
{
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(delcor,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
}
else delay(delcor); /*diffusion delay */
rgpulse(pw, v4, rof1, 0.0); /* third 90, v4 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
endif(v10);
}
else zgradpulse(gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2.0, v5, rof1, rof1); /* second 180, v5 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(gzlvl1,gt1/2.0);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1/2.0);
delay(gstab+2*pw/PI);
if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock sampling on */
}
}
else
rgpulse(pw,oph,rof1,rof2);
/* --- observe period --- */
status(C);
}
void pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
n15_flg[MAXSTR];
int icosel,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,
kappa,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
scale = getval("scale"),
sw1 = getval("sw1"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
t2a,t2b,halfT2,
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
timeTN = getval("timeTN"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("n15_flg",n15_flg);
phase = (int) (getval("phase") + 0.5);
settable(t1,4,phi1);
settable(t2,4,phi2);
settable(t3,1,phi3);
settable(t5,1,phi5);
settable(t14,4,phi14);
settable(t15,4,phi15);
settable(t24,4,phi24);
settable(t25,4,phi25);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
//shpw1 = pw*8.0;
shlvl1 = tpwr;
f1180[0] ='n';
f2180[0] ='n';
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS3 = c13pulsepw("ca", "co", "square", 180.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if(ix==1) printf("pwS2 %g pwS3 %g GRADIENT_DELAY %g POWER_DELAY %g PWRF_DELAY %g\n",
pwS2,pwS3,2*GRADIENT_DELAY,4*POWER_DELAY,4*PWRF_DELAY);
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
if ( phase2 == 2 )
{
tsadd ( t3,2,4 );
tsadd ( t5,2,4 );
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;
/* 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;
/************************************************************/
/* modification for phase-cycling in consecutive experiments*/
/* for kinetic measurements */
/************************************************************/
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t14,2,4); tsadd(t15,2,4);tsadd(t24,2,4); tsadd(t25,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t2,2,4); tsadd(t14,2,4); tsadd(t15,2,4);tsadd(t24,2,4); tsadd(t25,2,4); }
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
if (ni2 > 1)
{
halfT2 = 0.5*(ni2-1)/sw2;
t2b = (double) t2_counter*((halfT2 - timeTN)/((double)(ni2-1)));
if( ix==1 && halfT2 - timeTN > 0 ) printf("SCT mode on, max ni2=%g\n",timeTN*sw2*2+1);
if(t2b < 0.0) t2b = 0.0;
t2a = timeTN - tau2*0.5 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
}
else
{
t2b = 0.0;
t2a = timeTN - tau2*0.5;
}
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(1.5*gzlvl4, gt4);
delay(1.0e-4);
lk_sample();
delay(d1-gt4);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.5);
if(n15_flg[0]=='y') h_shapedpulse("pc9f_",shbw,shofs,three, 0.0, 0.0);
else h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
obspower(shlvl1);
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(timeTN-pwS2*0.5-gt4);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(timeTN-pwS2*0.5-gt4);
dec2rgpulse(pwN,one,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
obspower(tpwr);
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(tau1*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
one, zero, zero, 2.0e-6, 0.0);
if (pwN*2.0 > pwS3) delay(pwN*2.0-pwS3);
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/**************************************************************************/
dec2rgpulse(pwN,t2,0.0,0.0);
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
// delay(timeTN-pwS3-pwS2-gt1-1.0e-4);
delay(timeTN-pwS3-pwS2-gt1-1.0e-4-2.0*GRADIENT_DELAY-4*POWER_DELAY-4*PWRF_DELAY-(4/PI)*pwN);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay (t2b);
dec2rgpulse (2.0*pwN, zero, 0.0, 0.0);
delay (t2a);
/**************************************************************************/
delay(gt1/10.0+1.0e-4);
h_shapedpulse("eburp2_",shbw,shofs,t3, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay(gt1/10.0+1.0e-4);
dec2rgpulse(pwN,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(lambda-pwS6*0.5-gt6);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt6);
delay(lambda-pwS6*0.5-gt6);
dec2rgpulse(pwN,t5,0.0,0.0);
/**************************************************************************/
zgradpulse(-icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (n15_flg[0] =='y')
{
if (phase2==1) setreceiver(t14);
else setreceiver(t15);
}
else
{
if (phase2==1) setreceiver(t24);
else setreceiver(t25);
}
rcvron();
statusdelay(C,1.0e-4 );
}
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 gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
satpwr = getval("satpwr"),
satdly = getval("satdly"),
del = getval("del"),
del2 = getval("del2"),
dosyfrq = getval("sfrq"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
Ddelta,dosytimecubed;
char convcomp[MAXSTR],satmode[MAXSTR],alt_grd[MAXSTR],lkgate_flg[MAXSTR],
sspul[MAXSTR];
getstr("convcomp",convcomp);
getstr("satmode",satmode);
getstr("alt_grd",alt_grd);
getstr("lkgate_flg",lkgate_flg);
getstr("sspul",sspul);
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",1.0);
gzlvl1 = syncGradLvl("gt1","gzlvl1",1.0);
gt2 = syncGradTime("gt2","gzlvl2",1.0);
gzlvl2 = syncGradLvl("gt2","gzlvl2",1.0);
/* CHECK CONDITIONS */
if (p1 == 0.0) p1 = 2*pw;
/* STEADY-STATE PHASECYCLING
This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
dbl(ct, v1);
hlv(ct, v3);
elsenz(ssctr);
sub(ssval, ssctr, v7); /* v7 = 0,...,ss-1 */
dbl(v7, v1);
hlv(v7, v3);
endif(ssctr);
/* PHASECYCLE CALCULATION */
hlv(v3, v2);
mod2(v3, v3);
add(v3, v1, v1);
assign(v1, oph);
dbl(v2, v4);
add(v4, oph, oph);
add(v2, v3, v2);
Ddelta=gt1; /*the diffusion-encoding pulse width is gt1*/
if (convcomp[A]=='y')
dosytimecubed=Ddelta*Ddelta*(del - (4.0*Ddelta/3.0));
else
dosytimecubed=Ddelta*Ddelta*(del - (Ddelta/3.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
mod2(ct,v10); /* gradients change sign at odd transients */
/* BEGIN ACTUAL SEQUENCE */
status(A);
if (sspul[0]=='y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (satmode[0] == 'y')
{
if (d1 - satdly > 0) delay(d1 - satdly);
obspower(satpwr);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
}
else delay(d1);
if (getflag("wet")) wet4(zero,one);
status(B);
if (del>0.0) {
if (convcomp[A]=='y')
{
if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-gzlvl2,2.0*gt2);
elsenz(v10);
zgradpulse(gzlvl2,2.0*gt2);
endif(v10);
}
else zgradpulse(-gzlvl2,2.0*gt2);
delay(gstab);
rgpulse(pw, v1, rof1, rof1);
delay(d2/2.0);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(((del+del2)/4)-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(((del+del2)/4)-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(((del-del2)/4)-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(((del-del2)/4)-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl2,gt2);
elsenz(v10);
zgradpulse(-1.0*gzlvl2,gt2);
endif(v10);
}
else zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(p1, v2, rof1, rof1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl2,gt2);
elsenz(v10);
zgradpulse(-1.0*gzlvl2,gt2);
endif(v10);
}
else zgradpulse(gzlvl2,gt2);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(((del-del2)/4)-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(((del-del2)/4)-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(((del+del2)/4)-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(((del+del2)/4)-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(d2/2.0);
if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock sampling on */
}
else
{
rgpulse(pw, v1, rof1, rof1);
if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */
delay(d2/2.0);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse((del-p1-2.0*rof1-gt1)/2.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay((del-p1-2.0*rof1-gt1)/2.0);
rgpulse(p1, v2, rof1, rof1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse((del-p1-2.0*rof1-gt1)/2.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay((del-p1-2.0*rof1-gt1)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(d2/2.0);
if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock sampling on */
}
}
else
rgpulse(pw,oph,rof1,rof2);
status(C);
}
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);
}
}
void pulsesequence()
{
double gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gzlvl_max = getval("gzlvl_max"),
del = getval("del"),
dosyfrq=getval("sfrq"),
gstab = getval("gstab"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
gtau,tauc,gt4,gzlvl4,Ddelta,dosytimecubed;
char convcomp[MAXSTR],sspul[MAXSTR],lkgate_flg[MAXSTR],satmode[MAXSTR],
alt_grd[MAXSTR],arraystring[MAXSTR];
int iphase, icosel;
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",1.0);
gzlvl1 = syncGradLvl("gt1","gzlvl1",1.0);
gtE = syncGradTime("gtE","gzlvlE",1.0);
gzlvlE = syncGradLvl("gtE","gzlvlE",1.0);
getstr("sspul",sspul);
getstr("convcomp",convcomp);
getstr("satmode",satmode);
getstr("lkgate_flg",lkgate_flg);
getstr("alt_grd",alt_grd);
getstr("array",arraystring);
iphase = (int)(getval("phase")+0.5);
icosel = 1;
tau = 1/(2*(getval("jnxh")));
gtau = 2*gstab + GRADIENT_DELAY;
tauc = gtau+gtE-gstab;
if (strcmp(arraystring,"gzlvl1,phase")!=0)
fprintf(stdout,"Warning: array should be 'gzlvl1,phase' for this experiment");
Ddelta=gt1; /* the diffusion-encoding pulse width is gt1 */
if (convcomp[0] == 'y') dosytimecubed=2.0*Ddelta*Ddelta*(del-2.0*(Ddelta/3.0));
else dosytimecubed=2.0*Ddelta*Ddelta*(del-(Ddelta/3.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
if (ni>1) putCmd("dosy3Dproc=\'y\'\n");
else putCmd("dosy3Dproc=\'n\'");
if (tau < (gtE+gstab))
{
abort_message("0.5/jnxh must be greater than gtE+gstab");
}
if (tau < (1.0*(gt1+gstab)+del))
{
abort_message("0.5/jnxh must be greater than del+gt1+gstab");
}
settable(t1,2,ph1);
settable(t2,4,ph2);
settable(t3,4,ph3);
assign(zero,v4);
getelem(t1,ct,v1);
getelem(t3,ct,oph);
if (iphase == 2) icosel = -1;
initval(2.0*(double)((int)(d2*getval("sw1")+0.5)%2),v11);
add(v1,v11,v1);
add(v4,v11,v4);
add(oph,v11,oph);
mod2(ct,v10); /* gradients change sign at odd transients */
status(A);
decpower(pwxlvl);
if (sspul[0] == 'y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (lkgate_flg[0]=='y') lk_sample(); /* turn lock sampling on */
if (convcomp[0]=='y')
gt4=gt1*2.0;
else
gt4=gt1;
gzlvl4=sqrt(gzlvl_max*gzlvl_max-gzlvl1*gzlvl1);
if (satmode[0] == 'y')
{
if (d1 - satdly > 0) delay(d1 - satdly);
obspower(satpwr);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
}
else
{ delay(d1); }
if (getflag("wet")) wet4(zero,one);
if (lkgate_flg[0]=='y') lk_hold(); /* turn lock sampling off */
status(B);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl4,gt4);
elsenz(v10);
zgradpulse(-1.0*gzlvl4,gt4);
endif(v10);
}
else zgradpulse(gzlvl4,gt4);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl4,gt4);
elsenz(v10);
zgradpulse(gzlvl4,gt4);
endif(v10);
}
else zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
rgpulse(pw,zero,rof1,1.0e-6);
if (convcomp[0]=='y')
{
delay((tau - 1.0e-6 - (2*pw/PI)-del-2.333*gt1-2.0*gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
delay((tau - 1.0e-6 - (2*pw/PI)-del-2.333*gt1)/2.0);
}
else
{
delay((tau - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay((tau - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
}
decrgpulse(pwx,v1,1.0e-6,1.0e-6);
delay(gtE+gtau);
decrgpulse(2*pwx,v4,1.0e-6,1.0e-6);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvlE,gtE);
elsenz(v10);
zgradpulse(-1.0*gzlvlE,gtE);
endif(v10);
}
else zgradpulse(gzlvlE,gtE);
delay(gstab);
if (d2/2 > pw)
delay(d2/2 - pw);
else
delay(d2/2);
rgpulse(2.0*pw,zero,1.0e-6,1.0e-6);
if (d2/2 > pw)
delay(d2/2 - pw);
else
delay(d2/2);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvlE,gtE);
elsenz(v10);
zgradpulse(-1.0*gzlvlE,gtE);
endif(v10);
}
else zgradpulse(gzlvlE,gtE);
delay(gstab);
decrgpulse(2*pwx,zero,1.0e-6,1.0e-6);
delay(gtE+gtau);
decrgpulse(pwx,t2,1.0e-6,1.0e-6);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(icosel*2.0*gzlvlE/EDratio,gtE);
elsenz(v10);
zgradpulse(-1.0*icosel*2.0*gzlvlE/EDratio,gtE);
endif(v10);
}
else zgradpulse(icosel*2.0*gzlvlE/EDratio,gtE);
if (convcomp[0]=='y')
{
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-2.333*gt1-2.0*gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del/2.0-5.0*gt1/6.0);
zgradpulse(-gzlvl1,gt1);
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-2.333*gt1)/2.0);
if (lkgate_flg[0]=='y') lk_sample();
}
else
{
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (lkgate_flg[0]=='y') lk_sample();
}
decpower(dpwr);
delay(rof2 - POWER_DELAY);
status(C);
}
pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
SE_flg[MAXSTR],
dec_flg[MAXSTR],
CT_flg[MAXSTR];
int icosel=1,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,
lambda = getval("lambda"),
CTdelay = getval("CTdelay"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1,
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
timeTN = getval("timeTN"),
tauC = getval("tauC"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("SE_flg",SE_flg);
getstr("dec_flg",dec_flg);
getstr("CT_flg",CT_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t10,1,phi10);
settable(t12,4,phi12);
settable(t13,4,phi13);
/* INITIALIZE VARIABLES */
shpw1 = pw*8.0;
shlvl1 = tpwr;
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS3 = c13pulsepw("ca", "co", "square", 180.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if (SE_flg[0] == 'y')
{
if ( ni2*1/(sw2)/2.0 > (timeTN-pwS2*0.5-pwS4))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-pwS2*0.5-pwS4)*2.0*sw2))); psg_abort(1);}
}
else
{
if ( ni2*1/(sw2)/2.0 > (timeTN-pwS2*0.5))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-pwS2*0.5)*2.0*sw2))); psg_abort(1);}
}
if (CT_flg[0] == 'y')
{
if ( ni*1/(sw1) > (CTdelay))
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)(CTdelay*sw1))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
if (SE_flg[0] =='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else
{
if (phase2 == 2) tsadd(t3,1,4);
}
tau1 = d2;
if((f1180[A] == 'y') )
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
tau2 = d3;
if((f2180[A] == 'y') )
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
zgradpulse(gzlvl2, gt2);
delay(1.0e-4);
delay(d1-gt2);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
obspower(shlvl1);
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
zgradpulse(gzlvl6,gt6);
delay(timeTN-pwS2*0.5-gt6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-taunh*0.5-shpw1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
zgradpulse(gzlvl6, gt6);
delay(taunh*0.5-gt6);
dec2rgpulse(pwN,zero,0.0,0.0);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
/**************************************************************************/
/*** CO -> CA transfer *********************************/
/**************************************************************************/
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
zgradpulse(-gzlvl4, gt4);
decphase(zero);
delay(tauC - gt4 - 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(-gzlvl4, gt4);
decphase(one);
delay(tauC - gt4 - 0.5*10.933*pwC - WFG_START_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
if (CT_flg[0] == 'y')
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
delay(CTdelay*0.5);
c13pulse("cab", "co", "square", 180.0, zero, 0.0, 0.0);
delay((CTdelay-tau1)*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
}
else
{
if (dec_flg[0] == 'y')
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
c_shapedpulse2("isnob5",30.0,-31.0,"isnob5",30.0,120.0 , zero, 0.0, 0.0);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN*2.0,two,0.0,0.0);
c_shapedpulse2("isnob5",30.0,-31.0,"isnob5",30.0,120.0 , two, 0.0, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 2.0e-6);
}
else
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
if (pwN*2.0 > pwS2) delay(pwN*2.0 - pwS2);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 2.0e-6);
}
}
set_c13offset("co");
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
/**************************************************************************/
/*** CO -> CA transfer *********************************/
/**************************************************************************/
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 0.0);
zgradpulse(gzlvl4, gt4*0.7);
delay(tauC - gt4*0.7 - 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(gzlvl4, gt4*0.7);
delay(tauC - gt4*0.7 - 0.5*10.933*pwC - WFG_START_DELAY - 2.0e-6);
/* WFG_START_DELAY */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/**************************************************************************/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
dec2rgpulse(pwN,t3,0.0,0.0);
if (SE_flg[0] == 'y')
{
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(taunh*0.5-pwS3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-pwS2*0.5-shpw1-taunh*0.5-gt1-1.0e-4);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-tau2*0.5-pwS4);
h_shapedpulse("eburp2",shbw,shofs,zero, 2.0e-6, 0.0);
dec2rgpulse(pwN, t10, 0.0, 0.0);
}
else
{
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(taunh*0.5-pwS3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-pwS2*0.5-taunh*0.5-shpw1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-tau2*0.5);
dec2rgpulse(pwN, zero, 0.0, 0.0);
}
/**************************************************************************/
if (SE_flg[0] == 'y')
{
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
dec2rgpulse(pwN, one, 0.0, 0.0);
h_shapedpulse("eburp2_",shbw,shofs,one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
h_shapedpulse("reburp",shbw,shofs,zero, 0.0, rof2);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
h_shapedpulse("eburp2",shbw,shofs,zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5-POWER_DELAY-1.0e-4);
}
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
setreceiver(t13);
else
setreceiver(t12);
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
rna_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 */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "rnacal" */
/* and string parameter rna_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+ */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
dofa, /* dof shifted to 80 ppm for ribose */
/* 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 35 ppm */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
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"),
grecov = getval("grecov"), /* Gradient recovery delay, typically 150-200us */
gt1 = getval("gt1"), /* coherence pathway gradients */
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("f1180",f1180);
getstr("f2180",f2180);
/* 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( dpwrf < 4095 )
{ text_error("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* Center dof in RIBOSE region on 80 ppm. */
dofa = dof - 30.0*dfrq;
/* dipsi-3 decoupling C-ribose */
p_d = (5.0)/(9.0*4.0*7000.0*(sfrq/800.0)); /* DIPSI-3 covers 35 ppm */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* 80 ppm STUD+ decoupling */
strcpy(rna_stCdec, "wurst80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 0.5*grecov )
{ text_error(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 0.5*grecov)); psg_abort(1);}
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); 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( (((dm[C] == 'y') && (dm2[C] == 'y')) && (STUD[A] == 'y')) )
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' if STUD='y'"); psg_abort(1); }
if( dpwr > 50 )
{ 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( (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 ((dm3[B] == 'y' && dpwr3 > 44 ))
{ text_error ("Deuterium decoupling power too high ! "); psg_abort(1); }
if ((ncyc > 1 ) && (ix == 1))
{ text_error("mixing time is %f ms.\n",(ncyc*97.8*4*p_d)); }
/* 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();
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rfC);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(grecov/2);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, 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);
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(rfC);
delay(tau2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2);
decpwrf(rfC);
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
delay(grecov+2.0e-6);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rfC);
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
delay(grecov + pwN);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfC);
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 (STUD[A]=='y') decpower(studlvl);
else
{
decpower(dpwr);
dec2power(dpwr2);
}
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
if(dm3[B] == 'y')
delay(0.5*del - gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - POWER_DELAY);
else
delay(0.5*del - gt1 - 2.0*GRADIENT_DELAY - POWER_DELAY);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
decpower(dpwr); /* POWER_DELAY */
if (dm3[B]=='y') lk_sample();
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
setreceiver(t11);
}
pulsesequence ()
{
double gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gzlvlhs = getval("gzlvlhs"),
wselpw = getval("wselpw"),
wselpwr = getval("wselpwr"),
mixN = getval("mixN"),
prgtime = getval("prgtime"),
prgpwr = getval("prgpwr"),
phincr1 = getval("phincr1");
char wselshape[MAXSTR], sspul[MAXSTR],flipshape[MAXSTR], ESmode[MAXSTR],
flipback[MAXSTR],prg_flg[MAXSTR],alt_grd[MAXSTR];
rof1 = getval("rof1"); if(rof1 > 2.0e-6) rof1 = 2.0e-6;
getstr("wselshape", wselshape);
getstr("flipshape", flipshape);
getstr("prg_flg", prg_flg);
getstr("alt_grd",alt_grd);
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v8);
settable(t1,16,phi1);
settable(t3,16,phi3);
settable(t5,16,phi5);
settable(t6,16,rec);
settable(t9,16,phi9);
sub(ct,ssctr,v12);
getelem(t1,v12,v1);
getelem(t3,v12,v3);
getelem(t5,v12,v5);
getelem(t9,v12,v9);
getelem(t6,v12,oph);
add(v1,one,v10);
if (alt_grd[0] == 'y') mod2(ct,v6);
/* alternate gradient sign on every 2nd transient */
status(A);
if (getflag("lkgate_flg")) lk_sample(); /* turn lock sampling on */
decpower(dpwr); obspower(tpwr);
if (getflag("sspul"))
steadystate();
delay(d1);
if (getflag("lkgate_flg")) lk_hold(); /* turn lock sampling off */
status(B);
if (getflag("ESmode"))
{
rgpulse(pw,zero,rof1,rof1);
ifzero(v6); zgradpulse(gzlvl1,gt1);
elsenz(v6); zgradpulse(-1.0*gzlvl1,gt1); endif(v6);
obspower(wselpwr);
delay(gstab);
shaped_pulse(wselshape,wselpw,v9,10.0e-6,rof1);
ifzero(v6); zgradpulse(gzlvl1,gt1);
elsenz(v6); zgradpulse(-1.0*gzlvl1,gt1); endif(v6);
obspower(tpwr);
delay(gstab);
/* do mixing */
rgpulse(pw,zero,rof1,rof1);
ifzero(v6); rgradient('z',gzlvlhs); /* make it compatible with cold probes */
elsenz(v6); rgradient('z',-1.0*gzlvlhs); endif(v6);
delay(mixN);
rgradient('z',0.0);
delay(gstab);
if (getflag("flipback"))
FlipBack(v1,v8);
rgpulse(pw,v1,rof1,rof1);
ExcitationSculpting(v5,v3,v6);
if (prg_flg[A] == 'y') /* optional purge pulse */
{ obspower(prgpwr);
add(v1,one,v1);
rgpulse(prgtime,v1,rof1,rof2);
}
else delay(rof2);
}
else
rgpulse(pw,v1,rof1,rof2);
status(C);
}
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()
{
double del = getval("del"),
gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
satpwr = getval("satpwr"),
satdly = getval("satdly"),
prgtime = getval("prgtime"),
prgpwr = getval("prgpwr"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
d3 = getval("d3"),
Dtau,Ddelta,dosytimecubed, dosyfrq;
char delflag[MAXSTR],satmode[MAXSTR],prg_flg[MAXSTR],alt_grd[MAXSTR],
sspul[MAXSTR],lkgate_flg[MAXSTR];
getstr("delflag",delflag);
getstr("satmode",satmode);
getstr("prg_flg",prg_flg);
getstr("alt_grd",alt_grd);
getstr("lkgate_flg",lkgate_flg);
getstr("sspul",sspul);
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",0.5);
gzlvl1 = syncGradLvl("gt1","gzlvl1",0.5);
gt2 = syncGradTime("gt2","gzlvl2",1.0);
gzlvl2 = syncGradLvl("gt2","gzlvl2",1.0);
/* In pulse sequence, minimum del=4.0*pw+3*rof1+gt1+2.0*gstab */
if (del < (4*pw+3.0*rof1+gt1+2.0*gstab))
{ abort_message("Dbppste error: 'del' is less than %g, too short!",
(4.0*pw+3*rof1+gt1+2.0*gstab));
}
Ddelta=gt1;
Dtau=2.0*pw+rof1+gstab+gt1/2.0;
dosyfrq = sfrq;
dosytimecubed=Ddelta*Ddelta*(del-(Ddelta/3.0)-(Dtau/2.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
/* phase cycling calculation */
mod2(ct,v1); dbl(v1,v1); hlv(ct,v2);
mod2(v2,v3); dbl(v3,v3); hlv(v2,v2);
mod2(v2,v4); add(v1,v4,v1); /* v1 */
hlv(v2,v2); add(v2,v3,v4); /* v4 */
hlv(v2,v2); mod2(v2,v3); dbl(v3,v5);
hlv(v2,v2); mod2(v2,v3); dbl(v3,v3); /* v3 */
hlv(v2,v2); mod2(v2,v6); add(v5,v6,v5); /* v5 */
hlv(v2,v2); mod2(v2,v2); dbl(v2,v2); /* v2 */
assign(v1,oph); dbl(v2,v6); sub(oph,v6,oph);
add(v3,oph,oph); sub(oph,v4,oph); dbl(v5,v6);
add(v6,oph,oph); mod4(oph,oph); /*receiver phase*/
add(v1,v3,v7); add(v4,v7,v7);
add(two,v7,v8);
mod2(ct,v10); /* gradients change sign at odd transients */
if (ni > 1.0)
{ abort_message("Dbppste is a 2D, not a 3D dosy sequence: please set ni to 0 or 1");
}
/* equilibrium period */
status(A);
if (sspul[0]=='y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (satmode[0] == 'y')
{
if (d1 - satdly > 0)
delay(d1 - satdly);
obspower(satpwr);
txphase(zero);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
}
else
delay(d1);
status(B);
/* first part of bppdel sequence */
if (delflag[0]=='y')
{ if (gt1>0 && gzlvl1>0)
{ rgpulse(pw, v1, rof1, 0.0); /* first 90, v1 */
if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
endif(v10);
}
else
zgradpulse(gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2.0, v2, rof1, 0.0); /* first 180, v2 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(gzlvl1,gt1/2.0);
endif(v10);
}
else
zgradpulse(-1.0*gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw, v3, rof1, 0.0); /* second 90, v3 */
if (satmode[1] == 'y')
{
obspower(satpwr);
rgpulse(del-4.0*pw-3.0*rof1-gt1-2.0*gstab,zero,rof1,rof1);
obspower(tpwr);
}
else
{
delay(del-4.0*pw-3.0*rof1-gt1-2.0*gstab);/*diffusion delay */
}
rgpulse(pw, v4, rof1, 0.0); /* third 90, v4 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
endif(v10);
}
else
zgradpulse(gzlvl1,gt1/2.0);
delay(gstab);
rgpulse(pw*2.0, v5, rof1, rof1); /* second 180, v5 */
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v10);
zgradpulse(gzlvl1,gt1/2.0);
endif(v10);
}
else
zgradpulse(-1.0*gzlvl1,gt1/2.0);
delay(gstab);
if (prg_flg[0] == 'y')
{
add(one,v7,v9);
obspower(prgpwr);
rgpulse(prgtime, v9, rof1, rof1);
obspower(tpwr);
}
}
zgradpulse(gzlvl2,gt2);
delay(gstab);
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);
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);
zgradpulse(gzlvl2,gt2);
delay(gstab);
if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock on */
}
else
rgpulse(pw,oph,rof1,rof2);
/* --- observe period --- */
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);
}
pulsesequence()
{
char
autocal[MAXSTR],
shname1[MAXSTR],
shname2[MAXSTR],
ipap_flg[MAXSTR],
ab_flg[MAXSTR],
f1180[MAXSTR],
SE[MAXSTR], /*Use Sensitivity Enhancement */
c13refoc[MAXSTR],
refpat[MAXSTR], /* pulse shape pattern refocus. pulse*/
hetsofast_flg[MAXSTR],
grad3_flg[MAXSTR]; /*gradient flag */
int
t1_counter,
phase;
double d2_init=0.0,
pwS,pwS1,pwS2,
tpwrsf = getval("tpwrsf"),
adjust = getval("adjust"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gstab = getval("gstab"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
shlvl1 = getval("shlvl1"),
shlvl2 = getval("shlvl2"),
shdmf2 = getval("shdmf2"),
shbw = getval("shbw"),
shpw1 = getval("shpw1"),
shpw2 = getval("shpw2"),
shpw3 = 0.0,
shofs = getval("shofs"),
flipangle = getval("flipangle"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
tau1,
taunh = 1.0/(2.0*getval("JNH"));
void compo_pulse();
void compo1_pulse();
void makeshape_pc9();
void makeshape_refoc();
void makeshape_ndec();
getstr("autocal",autocal);
getstr("f1180",f1180);
getstr("c13refoc",c13refoc);
getstr("hetsofast_flg",hetsofast_flg);
getstr("refpat", refpat); /* pulse pattern refocussing pulse */
getstr("ipap_flg",ipap_flg);
getstr("grad3_flg",grad3_flg);
getstr("ab_flg",ab_flg);
getstr("SE",SE);
getstr("shname1",shname1);
getstr("shname2",shname2);
pwS = c_shapedpw("sech",200.0,0.0,zero, 0.0, 0.0);
pwS1 = hn_simshapedpw(refpat,shbw,shofs-4.8,"isnob3",50.0,0.0, zero, zero, 0.0, 0.0);
pwS2 = h_shapedpw(refpat,shbw,3.5,zero, 0.0, 0.0);
if (hetsofast_flg[0] == 'a')
shpw3 = h_shapedpw("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
if (hetsofast_flg[0] == 'b')
shpw3 = h_shapedpw("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,2,phi2);
if (autocal[0] == 'y')
{
(void) makeshape_pc9(flipangle, shbw, shofs); /*create pc9 pulse*/
sh90 = getRsh("hn_pc9");
shpw1 = sh90.pw;
shlvl1 = sh90.pwr;
sprintf(shname1,"hn_pc9");
(void) makeshape_refoc(refpat, shbw, shofs); /* create refocussing pulse */
shref = getDsh("hn_refoc");
shpw2 = shref.pw;
shlvl2 = shref.pwr;
shdmf2 = shref.dmf;
sprintf(shname2,"hn_refoc");
if (dmm2[2] == 'p') /* waveform capability present on channel 3 */
{
(void) makeshape_ndec(); /* create n15 wurst decoupling */
shdec = getDsh("hncompdec");
dpwr2 = shdec.pwr;
dmf2 = shdec.dmf;
dres2 = shdec.dres;
sprintf(dseq2,"hncompdec");
}
}
if (tpwrsf <4095.0) shlvl2 = shlvl2+6.0;
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-pwN*4.0/3.0;
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);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obsoffset(tof);
obspower(tpwr);
/**********************************************/
if (hetsofast_flg[0] != 'n')
{
if (hetsofast_flg[0] == 'a')
h_shapedpulse("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
if (hetsofast_flg[0] == 'b')
h_shapedpulse("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
delay(d1-gt2-shpw3);
lk_hold();
}
else
{
zgradpulse(gzlvl2, gt2);
delay(gstab);
delay(d1-gt2);
lk_hold();
}
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);
if (SE[0] == 'y')
{
if (ipap_flg[0] == 'y')
{
if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
if (grad3_flg[0]== 'y')
delay(taunh*0.5-shpw1*0.533-pwS1*0.5+(gt3*2.0+2.0*gstab+pwN*3.0));
else
delay(taunh*0.5-shpw1*0.533-pwS1*0.5+pwN);
hn_simshapedpulse(refpat,shbw,shofs-4.8,"bip720_50_20",40.0,0.0, zero, zero, 0.0, 0.0);
obspower(shlvl2);
obspwrf(4095.0);
compo1_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS,taunh,pwS1,pwS2,gt1,gt3,gzlvl3,grad3_flg,gstab);
obspower(shlvl2);
obspwrf(4095.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
h_sim3shapedpulse(refpat,shbw,shofs-4.8,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh*0.5-gt1-gstab-POWER_DELAY-pwS1*0.5);
if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
if (ab_flg[0] == 'a')
dec2rgpulse(pwN,one,0.0,0.0);
else
dec2rgpulse(pwN,three,0.0,0.0);
if (grad3_flg[0]== 'y')
{
delay(gt3+gstab);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
}
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
if ((tau1+pwN*2.0) < pwS2)
delay(taunh-gt1-gstab-shpw1*0.533-adjust-(pwS2*0.5-tau1*0.5-pwN)*0.5);
else
delay(taunh-gt1-gstab-shpw1*0.533-adjust);
obspower(shlvl2);
obspwrf(tpwrsf);
compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
obspower(shlvl1);
obspwrf(4095.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
if ((tau1+pwN*2.0) < pwS2)
delay(taunh-gt1-gstab-POWER_DELAY-(pwS2*0.5-tau1*0.5-pwN)*0.5);
else
delay(taunh-gt1-gstab-POWER_DELAY);
}
}
else
{
if ((ni == 0) || (ni == 1))
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-WFG_START_DELAY+pwN*4.0-shpw1*0.533-adjust);
obspwrf(tpwrsf);
obspower(shlvl2);
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay(shpw2);
obsprgoff();
obsblank();
xmtroff();
obspower(shlvl2);
obspwrf(4095.0);
dec2rgpulse(pwN,t1,0.0,0.0);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
dec2rgpulse(pwN,zero,0.0,0.0);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-shpw1*0.533-adjust);
obspower(shlvl2);
obspwrf(tpwrsf);
compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
obspower(shlvl1);
obspwrf(4095.0);
}
if (ipap_flg[0] == 'y')
{
if (ab_flg[0] == 'b')
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-pwN-POWER_DELAY);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh*0.5-gt1-pwN-gstab);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
delay(taunh*0.5-pwN-POWER_DELAY);
}
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-POWER_DELAY);
}
}
dec2power(dpwr2);
lk_sample();
setreceiver(t2);
status(C);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fil_flg1[MAXSTR],
had_flg[MAXSTR],
shname1[MAXSTR],
shname2[MAXSTR],
ala_flg[MAXSTR],
ser_flg[MAXSTR],
SE_flg[MAXSTR], /* SE_flg */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double d3_init=0.0, /* used for states tppi in t2 */
stCwidth = 80.0,
shpw1,shpw2, /* t1 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
tauC1 = getval("tauC1"),
tauC2 = getval("tauC2"),
tauC3 = getval("tauC3"),
had2,had3,
timeTN = getval("timeTN"), /* constant time for 15N evolution */
eta = 4.6e-3,
theta = 14.0e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwS1, pwS2, pwS3, pwS4, pwS5,pwS6,pwS7,
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw2 = getval("sw2"),
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5"),
flip_angle=120.0,had1=0.0,
epsilon = getval("epsilon");
fil_flg1[0]='n';
ser_flg[0]='n'; /*initialize*/
getstr("f2180",f2180);
getstr("had_flg",had_flg);
getstr("shname1",shname1);
getstr("shname2",shname2);
getstr("TROSY",TROSY);
getstr("SE_flg",SE_flg);
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t3,4,phi3);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,8,phi12);
settable(t13,8,rec2);
/* INITIALIZE VARIABLES */
shpw1 = pw*8.0;
shpw2 = pwC*8.0;
kappa = 5.4e-3;
lambda = 2.4e-3;
had2=0.5/135.0;
had3=0.5/135.0;
ala_flg[0]='n';
if (had_flg[0] == '1')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '2')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '3')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '4')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '5')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '6')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '7')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '8')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1); }
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS4 = c_shapedpw("isnob5",80.0,0.0,zero, 2.0e-6, 2.0e-6);
pwS6 = c_shapedpw("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6); /* attention, y a aussi des 180 CaCb après les filtres*/
pwS7 = c_shapedpw(shname2,80.0,150.0,zero, 2.0e-6, 2.0e-6);
pwS5 = c_shapedpw("isnob5",30.0,0.0,zero, 2.0e-6, 2.0e-6);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else {
if (SE_flg[0]=='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else { if (phase2 == 2) {tsadd(t8,1,4); }
}
}
/* Set up f2180 */
tau2 = d3; /* run 2D exp for NH correlation, but must use tau2 instead of tau1
because bionmr.h is written for nh_evol* to do tau2 evolution*/
if((f2180[A] == 'y') && (ni2 > 1.0)) /* use f2180 to control tau2 */
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw1 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("cab");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(gstab);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
rgpulse(pw, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - WFG2_START_DELAY - 0.5e-3 + 68.0e-6 );
sim_c13adiab_inv_pulse("", "aliph", stCwidth, "sech1", 2.0*pw, 1.0e-3,
zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - 0.5e-3 + 68.0e-6);
rgpulse(pw, one, 0.0, 0.0);
if (ser_flg[0] == 'n' )
delay(pwS5);
if (ser_flg[0] == 'y' )
c_shapedpulse("isnob5",30.0,24.0,zero, 2.0e-6, 2.0e-6);
/*********************************** transfer CB->CA + DEPT CBH **************/
zgradpulse(gzlvl3, gt3*1.2);
delay(gstab);
decrgpulse(pwC, t3, 0.0, 0.0);
rgpulse(pw, three, 0.0, 0.0);
if (flip_angle > 90.0) delay(pw*(flip_angle/90.0-1));
if (fil_flg1[0] == 'y')
{
/* JCOCA & JCOCB is turned on*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-pwS7-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5-pwS7);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'n')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(epsilon/4.0-pwS7*0.5-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had2*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
if (had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5>0.0)
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(epsilon/4.0-pwS7*0.5-1.1*gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
}
else
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(epsilon/4.0-pwS7*0.5-had3*0.5-shpw1*0.5);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
}
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'c')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-1.1*gt3);
}
/*********************************** 2nd transfer CB->CA +DEPT CAH ***********/
decrgpulse(pwC, zero, 0.0, 0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC1-pwS3-pwS4*0.5);
c_shapedpulse("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6);
delay(tauC1-tauC2-pwS3-pwS4*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC2-pw*8.0-had1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(had1);
c13pulse("cab", "co", "square", 90.0, zero, 0.0, 0.0);
/******************************************************************************/
if(dm3[B] == 'y') /*optional 2H decoupling off */
{dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
h1decon("DIPSI2", 27.0, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0); /* point e */
decphase(zero);
delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
/* 2*POWER_DELAY+2*PWRF_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /* pwS2 */
dec2phase(zero);
delay(theta - eta - pwS2 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
if (SE_flg[0]=='y') /* point f */
{
nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
else
{
nh_evol_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCshape[MAXSTR],
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeNCA = getval("timeNCA"),
timeC = getval("timeC"), /* other delays */
tauCC = getval("tauCC"),
zeta = getval("zeta"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
rf0,
rfst,
widthHd,
pwS1, /* length of square 90 on Cab */
pwS2, /* length of square 180 on Ca */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
phshift = getval("phshift"), /* phase shift induced on CO by 180 on CA in middle of t1 */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
waltzB1 = getval("waltzB1"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("TROSY",TROSY);
widthHd=2.069*(waltzB1/sfrq); /* produces same field as std. sequence */
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t4,1,phx);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,16,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,8,rec);}
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
lambda = 2.4e-3;
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
if( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1); }
/* 30 ppm sech/tanh inversion for Ca-Carbons */
rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41));
rfst = (int) (rfst + 0.5);
strcpy(stCshape, "stC30");
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( gt4 > zeta - 0.6*pwC)
{ printf(" gt4 is too big. Make gt4 equal to %f or less.\n",
(zeta - 0.6*pwC)); psg_abort(1);}
if ( 0.5*ni*1/(sw1) > 2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((2.0*timeC - OFFSET_DELAY)*2.0*sw1))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t2,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t2,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("ca");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(three);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decpwrf(rfst);
delay(tauCH - gt0 - WFG2_START_DELAY - 0.5e-3 + 70.0e-6);
simshaped_pulse("",stCshape, 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tauCH - gt0 - 0.5e-3 + 70.0e-6 - 150.0e-6);
decpwrf(rf0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(150.0e-6);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, t1, 0.0, 0.0);
set_c13offset("co");
delay(zeta - 0.6*pwC - OFFSET_DELAY - POWER_DELAY - PWRF_DELAY - PRG_START_DELAY);
h1decon("DIPSI2", widthHd, 0.0); /*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
delay(2.0*timeC - zeta);
c13pulse("co", "ca", "sinc", 90.0, t2, 0.0, 0.0); /* pwS1 */
delay(timeNCA - tau1);
c13pulse("ca", "co", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); /* pwS2 */
delay(timeNCA + tau1 + (60.0e-6));
initval(phshift, v3);
decstepsize(1.0);
dcplrphase(v3);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0); /* pwS1 */
delay(2.0*timeC + tauCC - OFFSET_DELAY - SAPS_DELAY - tau1);
c13pulse("ca", "co", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauCC);
sim3_c13pulse("", "co", "ca", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 0.0, 60.0e-6);
delay(tau1);
set_c13offset("ca");
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
nh_evol_se_train("ca", "co"); /* common part of sequence in bionmr.h */
if (dm3[B] == 'y') lk_sample();
}
pulsesequence()
{
double slpwrR = getval("slpwrR"),
slpwR = getval("slpwR"),
mixR = getval("mixR"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
gstab = getval("gstab"),
selfrq = getval("selfrq"),
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvl2 = getval("gzlvl2"),
gt2 = getval("gt2"),
zqfpw1 = getval("zqfpw1"),
zqfpwr1 = getval("zqfpwr1"),
gzlvlzq1 = getval("gzlvlzq1"),
phincr1 = getval("phincr1");
char selshapeA[MAXSTR],selshapeB[MAXSTR], slpatR[MAXSTR],
zqfpat1[MAXSTR], alt_grd[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
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("slpatR",slpatR);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
getstr("zqfpat1",zqfpat1);
getstr("alt_grd",alt_grd);
if (strcmp(slpatR,"cw") &&
strcmp(slpatR,"troesy") &&
strcmp(slpatR,"dante"))
abort_message("SpinLock pattern %s not supported!.\n", slpatR);
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR) or off of CT */
assign(ct,v17);
ifzero(ssctr);
assign(v17,v13);
elsenz(ssctr);
/* purge option does not adjust v13 during steady state */
sub(ssval, ssctr, v13);
endif(ssctr);
/* Beginning phase cycling */
dbl(v13,v1); /* v1 = 0 2 */
hlv(v13,v13);
dbl(v13,v20); /* v20 = 00 22 */
hlv(v13,v13);
dbl(v13,v6); /* v6 = 0000 2222 */
hlv(v13,v13);
dbl(v13,v7); /* v7 = 00000000 22222222 */
assign(v1,oph);
if (getflag("Gzqfilt"))
add(v7,oph,oph);
/* CYCLOPS */
assign(v13,v14); /* v14 = 8x0 8x1 8x2 8x3 */
if (getflag("Gzqfilt"))
hlv(v13,v14); /* v14 = 16x0 16x1 16x2 16x3 */
add(v1,v14,v1);
add(v20,v14,v20);
add(v6,v14,v6);
add(v7,v14,v7);
add(oph,v14,oph);
/* add(oph,v18,oph);
add(oph,v19,oph); */
assign(zero,v9);
mod2(ct,v2); /* 01 01 */
hlv(ct,v11); hlv(v11,v11); mod2(v11,v11); dbl(v11,v11); /* 0000 2222 */
add(v11,v2,v11); mod4(v11,v11); /* 0101 2323 first echo in Excitation Sculpting */
hlv(ct,v4); mod2(v4,v4); /* 0011 */
hlv(ct,v12); hlv(v12,v12); hlv(v12,v12); dbl(v12,v12); add(v12,v4,v12);
mod4(v12,v12); /* 0011 0011 2233 2233 second echo in Excitation Sculpting */
dbl(v2,v2); /* 0202 */
dbl(v4,v4); /* 0022 */
add(v2,v4,v4); /* 0220 correct oph for Excitation Sculpting */
add(oph,v4,oph); mod4(oph,oph);
if (!strcmp(slpatR,"troesy"))
assign(v20,v21);
else
add(v20,one,v21);
if (alt_grd[0] == 'y') mod2(ct,v8); /* alternate gradient sign on even scans */
/* The following is for flipback pulse */
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v5);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
if (getflag("lkgate_flg")) lk_sample(); /* turn lock sampling on */
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
delay(d1);
if (getflag("lkgate_flg")) lk_hold(); /* turn lock sampling off */
status(B);
rgpulse(pw, v1, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
ifzero(v8); zgradpulse(gzlvlA,gtA);
elsenz(v8); zgradpulse(-gzlvlA,gtA); endif(v8);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v14,rof1,rof1);
obspower(tpwr);
ifzero(v8); zgradpulse(gzlvlA,gtA);
elsenz(v8); zgradpulse(-gzlvlA,gtA); endif(v8);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
ifzero(v8); zgradpulse(gzlvlB,gtB);
elsenz(v8); zgradpulse(-gzlvlB,gtB); endif(v8);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v6,rof1,rof1);
obspower(slpwrR);
ifzero(v8); zgradpulse(gzlvlB,gtB);
elsenz(v8); zgradpulse(-gzlvlB,gtB); endif(v8);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
if (mixR > 0.0)
{
if (dps_flag)
rgpulse(mixR,v21,0.0,0.0);
else
SpinLock(slpatR,mixR,slpwR,v21);
}
if (getflag("Gzqfilt"))
{
obspower(tpwr);
rgpulse(pw,v7,rof1,rof1);
ifzero(v8); zgradpulse(gzlvl1,gt1);
elsenz(v8); zgradpulse(-gzlvl1,gt1); endif(v8);
delay(gstab);
obspower(zqfpwr1);
ifzero(v8); rgradient('z',gzlvlzq1);
elsenz(v8); rgradient('z',-gzlvlzq1); endif(v8);
delay(100.0e-6);
shaped_pulse(zqfpat1,zqfpw1,zero,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
ifzero(v8); zgradpulse(-gzlvl2,gt2);
elsenz(v8); zgradpulse(gzlvl2,gt2); endif(v8);
obspower(tpwr);
delay(gstab);
if (getflag("flipback"))
FlipBack(v14,v5);
rgpulse(pw,v14,rof1,2.0e-6);
}
ExcitationSculpting(v11,v12,v8);
delay(rof2);
status(C);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
t1a, /* time increments for first dimension */
t1b,
t1c,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeAB = getval("timeAB"), /* set timeAB=1.9e-3 to get only Ha */
/* set timeAB=3.3e-3 to maximize Hb */
/* set timeAB=2.8e-3 for both Ha/Hb */
zeta = 3.0e-3,
eta = 4.6e-3,
theta = 14.0e-3,
kappa = 5.4e-3,
lambda = 2.4e-3,
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab(46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Cab(46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC4" etc are called */
/* directly from your shapelib. */
pwC4 = getval("pwC4"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC5 = getval("pwC5"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC7 = getval("pwC7"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf4, /* fine power for the pwC4 ("offC4") pulse */
rf5, /* fine power for the pwC5 ("offC5") pulse */
rf7, /* fine power for the pwC7 ("offC7") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwH, /* H1 90 degree pulse length at tpwr1 */
tpwr1, /* 7.3 kHz rf for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
ncyc_dec,
waltzB1=getval("waltzB1"), /* RF strength for 1H decoupling */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( pwC > 24.0e-6*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = (compC*4095.0*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf4 = (compC*4095.0*pwC*2.0)/pwC4;
rf4 = (int) (rf4 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf5 = (compC*4095.0*pwC*1.69)/pwC5; /* needs 1.69 times more */
rf5 = (int) (rf5 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
/* power level and pulse times for DIPSI 1H decoupling */
DIPSI2time = 2.0*3.0e-3 + 2.0*14.0e-3 + 2.0*timeTN - 5.4e-3 + 0.5*pwC1 + 2.0*pwC5 + 5.0*pwN + 2.0*gt3 + 1.0e-4 + 4.0*GRADIENT_DELAY + 2.0*POWER_DELAY + 8.0*PRG_START_DELAY;
pwH = 1.0/(4.0*waltzB1);
ncyc_dec = (DIPSI2time*90.0)/(pwH*2590.0*4.0);
ncyc_dec = (int) (ncyc_dec+0.5);
pwH = (DIPSI2time*90.0)/(ncyc_dec*2590.0*4.0); /*fine correction of pwH */
tpwr1 = 4095.0*(compH*pw/pwH);
tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */
if (ix == 1)
{
fprintf(stdout, "\nNo of DIPSI-2 cycles = %4.1f\n",ncyc_dec);
fprintf(stdout, "\nfine power for DIPSI-2 pulse =%6.1f\n",tpwr1);
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt0 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* For ni<2 (calibration) set timeAB=1.5ms to get avoid signal cancellation between Ha and Hb */
if (ni < 2.0) timeAB=1.5e-3;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
lk_sample(); /*freezes z0 correction, stops lock pulsing*/
if ((ni/sw1-d2)>0)
delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/
if ((ni2/sw2-d3)>0)
delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(one);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gzlvl0=0.0; gzlvl3=0.0; gzlvl4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, one, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
if((t1a -2.0*pwC) > 0.0) delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(5.0e-5);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, zero, 0.0, 0.0);
/* point c */
zgradpulse(gzlvl4, gt4);
decpwrf(rf2);
delay(timeAB - gt4);
simpulse(2*pw, pwC2, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(timeAB - gt4);
/* point d */
/* ghc_co_nh STOPS HERE */
/* gcbca_co_nh STARTS HERE */
decpwrf(rf1); /* point b */
decrgpulse(pwC1, zero, 2.0e-6, 0.0);
obspwrf(tpwr1); obspower(tpwr-6); /* POWER_DELAY */
obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */
xmtron();
/* point c */
decpwrf(rf0);
decphase(t5);
delay(zeta - 2.0*POWER_DELAY - PRG_START_DELAY - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, t5, 0.0, 0.0); /* Shaka composite */
decrgpulse(pwC*145.5/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, t6, 0.0, 0.0);
decpwrf(rf1);
decphase(zero);
delay(zeta - 0.5*10.933*pwC - 0.5*pwC1);
/* point d */
decrgpulse(pwC1, zero, 0.0, 0.0);
decphase(t5);
decpwrf(rf5);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC5", pwC5, t5, 0.0, 0.0);
/* point e */
decpwrf(rf4);
decphase(zero);
delay(eta);
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
decpwrf(rf7);
dec2phase(zero);
delay(theta - eta - pwC4 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decpwrf(rf5);
decpwrf(rf5);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
/* point f */
decshaped_pulse("offC5", pwC5, zero, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl3, gt3);
if (TROSY[A]=='y') { xmtroff(); obsprgoff(); }
delay(2.0e-4);
dcplrphase(zero);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decpwrf(rf7);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
dec2phase(t10);
decpwrf(rf4);
if (TROSY[A]=='y')
{
if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
txphase(t4);
delay(timeTN - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
txphase(t4);
delay(timeTN -pwC4 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > (kappa - pwC4 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(kappa -pwC4 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - tau2 - pwC4 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa-tau2-pwC4-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC4", pwC4, zero, 0.0, 0.0);
delay(tau2);
}
} /* point g */
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
