void pulsesequence()
{
double mixN = getval("mixN"),
mixNcorr,
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gstab = getval("gstab"),
zqfpw1 = getval("zqfpw1"),
zqfpwr1 = getval("zqfpwr1"),
gzlvlzq1 = getval("gzlvlzq1");
char satmode[MAXSTR],
zqfpat1[MAXSTR],
wet[MAXSTR];
int phase1 = (int)(getval("phase")+0.5);
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("wet",wet);
getstr("zqfpat1",zqfpat1);
mixNcorr = 0.0;
if (getflag("PFGflg"))
{
mixNcorr = gt1 + gstab;
if (getflag("Gzqfilt"))
mixNcorr += gstab + zqfpw1;
if (wet[1] == 'y')
mixNcorr += 4*(getval("pwwet")+getval("gtw")+getval("gswet"));
}
if (mixNcorr > mixN)
mixN=mixNcorr;
settable(t1,16,phs1);
settable(t2,32,phs2);
settable(t3,16,phs3);
settable(t5,16,phs5);
settable(t4,32,phs4);
getelem(t1,ct,v1);
getelem(t4,ct,oph);
assign(oph,v7);
assign(zero,v6);
getelem(t2,ct,v2);
getelem(t3,ct,v3);
/*
mod2(id2,v14);
dbl(v14,v14);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if (phase1 == 2) /* hypercomplex */
incr(v1);
add(v1, v14, v1);
add(oph,v14,oph);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,v6,rof1,rof1);
}
else
delay(d1);
if (wet[0] == 'y')
wet4(zero,one);
status(B);
rgpulse(pw, v1, rof1, rof1);
if (d2>0)
delay(d2- 2*rof1 -(4*pw/PI)); /*corrected evolution time */
else
delay(d2);
rgpulse(pw, v2, rof1, rof1);
if (satmode[1] == 'y')
satpulse((mixN-mixNcorr)*0.7,v7,rof1,rof1);
else
delay((mixN - mixNcorr)*0.7);
if (getflag("PFGflg"))
{
if (getflag("Gzqfilt"))
{
obspower(zqfpwr1);
rgradient('z',gzlvlzq1);
delay(100.0e-6);
shaped_pulse(zqfpat1,zqfpw1,zero,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
obspower(tpwr);
}
zgradpulse(gzlvl1,gt1);
delay(gstab);
}
if (satmode[1] == 'y')
satpulse((mixN-mixNcorr)*0.3,v7,rof1,rof1);
else
delay((mixN - mixNcorr)*0.3);
if (wet[1] == 'y')
wet4(zero,one);
status(C);
rgpulse(pw, v3, rof1, rof2);
}
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()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
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 */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
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 */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 90 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 */
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 */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
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");
satpwr = getval("satpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
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);
kappa = 5.4e-3;
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co", "ca", "sinc", 90.0);
/* the 180 pulse on CO at the middle of t1 */
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 = 140.0;
else phshift = 0.0;
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
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( pwS3 > 200.0e-6 )
{
printf("dont fry the probe, pwS3 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 ("Angle_CO:\t%6.2f\n", angle_CO);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(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) + pwS2 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS2)*2.0*swTilt/cos_N))); 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);
set_c13offset("ca"); /* set Dec1 carrier at Co */
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for hard 15N pulses */
dec2pwrf(4095.0);
sim3_c13pulse("", "ca", "co", "sinc", "", 0.0, 180.0, 0.0, /* to produce shape */
zero, zero, zero, 2.0e-6, 2.0e-4);
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(three);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
shiftedpulse("sinc", pwHs, 90.0, 0.0, three, 2.0e-6, 2.0e-6);
txphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,one,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
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(zeta - kappa - WFG3_START_DELAY);
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(zero);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
h1waltzoff("WALTZ16", widthHd, 0.0);
dec2phase(zero); decphase(zero);
delay(0.2e-6);
/* CHECK Negative gradient */
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(tauc - gt10 - 0.2e-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(tauc - 4.0e-6 - gt10 - 0.2e-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);
decphase(t5);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
h1waltzon("WALTZ16", widthHd, 0.0);
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* pwS1 */
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - 2.0*PWRF_DELAY - 0.5*pwZ > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - WFG3_START_DELAY - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - 2.0*PWRF_DELAY - 0.5*pwZ);
decoff();
decprgoff();
decpower(pwClvl);
decphase(zero); dec2phase(zero);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - WFG_START_DELAY - 2.0*PWRF_DELAY - 0.5*pwZ);
decoff();
decprgoff();
decpower(pwClvl);
initval(140.0, v9);
decstepsize(1.0);
dcplrphase(v9);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0); /* pwS1 */
dcplrphase(zero);
h1waltzoff("WALTZ16", widthHd, 0.0);
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, 2.0e-6, 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, 2.0e-6, 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);
h1waltzon("WALTZ16", widthHd, 0.0);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS2);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(t4);
if (tau3 > (kappa + PRG_STOP_DELAY + pwHd + 2.0e-6))
{
delay(bigTN - pwS3 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6 - POWER_DELAY
- PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
txphase(zero);
delay(kappa - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
}
else if (tau3 > (kappa - pwS3 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6))
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
txphase(zero);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(kappa - pwS3 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
}
else if (tau3 > gt5 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
txphase(zero);
delay(kappa - tau3 - pwS3 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(tau3 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
}
else
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
txphase(zero);
delay(kappa - tau3 - pwS3 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-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(2.0*pw,0.0,2.0*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(2.0*pw,0.0,2.0*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gt8 + 1.0e-4 + 1.0e-4 - 0.3*pw + 2.0*GRADIENT_DELAY
+ POWER_DELAY);
rgpulse(2*pw,zero,0.0,0.0);
dec2power(dpwr2);
decpower(dpwr);
zgradpulse(icosel*gzlvl8, gt8);
delay(1.0e-4);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
statusdelay(C, 1.0e-4);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
NH2only[MAXSTR], /* spectrum of only NH2 groups */
amino[MAXSTR], /* select amino nitrogens */
imino[MAXSTR], /* select imino nitrogens */
T1[MAXSTR], /* insert T1 relaxation delay */
T1rho[MAXSTR], /* insert T1rho relaxation delay */
T2[MAXSTR], /* insert T2 relaxation delay */
bottom[MAXSTR],
right[MAXSTR],
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 */
rTnum, /* number of relaxation times, relaxT */
rTcounter; /* to obtain maximum relaxT, ie relaxTmax */
double tau1, /* t1 delay */
lambda = 0.91/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
relaxT = getval("relaxT"), /* total relaxation time */
rTarray[1000], /* to obtain maximum relaxT, ie relaxTmax */
maxrelaxT = getval("maxrelaxT"), /* maximum relaxT in all exps */
ncyc, /* number of pulsed cycles in relaxT */
/* the sech/tanh pulse is automatically calculated by the macro "rna_cal", */ /* and is called directly from your shapelib. */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the rna_stC140 pulse */
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
calH = getval("calH"), /* multiplier on a pw pulse for H1 calibration */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
calN = getval("calN"), /* multiplier on a pwN pulse for calibration */
slNlvl, /* power for N15 spin lock */
slNrf = 1500.0, /* RF field in Hz for N15 spin lock at 600 MHz */
dof2a, /* offset for imino/amino */
sw1 = getval("sw1"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* dac to G/cm conversion */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
BPpwrlimits, /* =0 for no limit, =1 for limit */
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
getstr("T1",T1);
getstr("T1rho",T1rho);
getstr("T2",T2);
getstr("bottom",bottom);
getstr("right",right);
getstr("TROSY",TROSY);
getstr("imino",imino);
getstr("amino",amino);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
if (TROSY[A]=='y')
{ settable(t1,1,ph_x);
if (bottom[A]=='y')
settable(t4,1,phx);
else
settable(t4,1,ph_x);
if (right[A]=='y')
settable(t10,1,phy);
else
settable(t10,1,ph_y);
settable(t9,1,phx);
settable(t11,1,phx);
settable(t12,2,recT);
}
else
{ settable(t1,1,phx);
settable(t4,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
}
/* INITIALIZE VARIABLES */
dof2a=dof2;
/* IMINO-region setting of dof2 */
if (imino[A] == 'y') dof2a=dof2-45*dfrq2;
if (amino[A] == 'y') dof2a=dof2-115*dfrq2;
if ((imino[A] == 'n') && (amino[A] == 'n')) dof2a=dof2;
/* maximum fine power for pwC pulses (and initialize rfst) */
rfC = 4095.0;
rfst=0.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse covers 140 ppm */
if (C13refoc[A]=='y')
{ rfst = (compC*4095.0*pwC*4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
/* 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 */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 140.0*ppm;
pws = 0.001;
ofs = 0.0;
nst = 1000.0;
if (C13refoc[A]=='y')
stC140 = pbox_makeA("rna_stC140", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
H2Osinc = pbox_Rsh("rna_H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC140.pwrf;
pwHs = H2Osinc.pw;
tpwrs = H2Osinc.pwr;
}
/* power level for N15 spinlock (90 degree pulse length calculated first) */
slNlvl = 1/(4.0*slNrf*sfrq/600.0) ;
slNlvl = pwNlvl - 20.0*log10(slNlvl/(pwN*compN));
slNlvl = (int) (slNlvl + 0.5);
/* use 1/8J times for relaxation measurements of NH2 groups */
if ( (NH2only[A]=='y') && ((T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y')) )
{
tNH = tNH/2.0;
}
/* reset calH and calN for 2D if inadvertently left at 2.0 */
if (ni>1.0) {
calH=1.0;
calN=1.0;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( ((imino[A] == 'y') && (amino[A] == 'y')) )
{
printf(" Choose ONE of the cases: imino='y' OR amino='y' ");
psg_abort(1);
}
if ( ((imino[A] == 'y') && (NH2only[A] == 'y')) )
{
printf(" NH2only='y' only valide for amino='y' ");
psg_abort(1);
}
if ((TROSY[A]=='y') && (gt1 < -2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY))
{ text_error( " gt1 is too small. Make gt1 equal to %f or more.\n",
(-2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY) );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( (pwN > 100.0e-6) && (pwNlvl > 54) )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* RELAXATION TIMES AND FLAGS */
/* evaluate maximum relaxT, relaxTmax chosen by the user */
rTnum = getarray("relaxT", rTarray);
relaxTmax = rTarray[0];
for (rTcounter=1; rTcounter<rTnum; rTcounter++)
if (relaxTmax < rTarray[rTcounter]) relaxTmax = rTarray[rTcounter];
/* compare relaxTmax with maxrelaxT */
if (maxrelaxT > relaxTmax) relaxTmax = maxrelaxT;
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > d1) )
{
text_error("Maximum relaxation time, relaxT, is greater than d1 ! ");
psg_abort(1);
}
if ( ((T1[A]=='y') && (T1rho[A]=='y')) || ((T1[A]=='y') && (T2[A]=='y')) ||
((T1rho[A]=='y') && (T2[A]=='y')) )
{
text_error("Choose only one relaxation measurement ! ");
psg_abort(1);
}
if ( ((T1[A]=='y') || (T1rho[A]=='y')) &&
((relaxT*100.0 - (int)(relaxT*100.0+1.0e-4)) > 1.0e-6) )
{
text_error("Relaxation time, relaxT, must be zero or multiple of 10msec");
psg_abort(1);
}
if ( (T2[A]=='y') &&
(((relaxT+0.01)*50.0 - (int)((relaxT+0.01)*50.0+1.0e-4)) > 1.0e-6) )
{
text_error("Relaxation time, relaxT, must be odd multiple of 10msec");
psg_abort(1);
}
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.25) && (ix==1) )
{
printf("WARNING, sample heating may result in a reduced lock level for relaxT>0.25sec");
}
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.5) )
{
text_error("relaxT greater than 0.5 seconds will heat sample");
psg_abort(1);
}
if ( ((NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y'))
&& (TROSY[A]=='y') )
{
text_error("TROSY not implemented with NH2 spectrum, or relaxation exps.");
psg_abort(1);
}
if ((TROSY[A]=='y') && (dm2[C] == 'y'))
{
text_error("Choose either TROSY='n' or dm2='nnn' ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (TROSY[A]=='y')
{ if (phase1 == 1) icosel = -1;
else {
tsadd(t4,2,4);
tsadd(t10,2,4);
icosel = +1;
}
}
else {
if (phase1 == 1) {
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;
/* 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);
}
/* Correct inverted signals for NH2 only spectra */
if ((NH2only[A]=='y') && (T1[A]=='n') && (T1rho[A]=='n') && (T2[A]=='n'))
{
tsadd(t3,2,4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
decpwrf(rfC);
dec2power(pwNlvl);
dec2offset(dof2a);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
/* xxxxxxxxxxxxxxxxx CONSTANT SAMPLE HEATING FROM N15 RF xxxxxxxxxxxxxxxxx */
if (T1rho[A]=='y')
{ dec2power(slNlvl);
dec2rgpulse(relaxTmax-relaxT, zero, 0.0, 0.0);
dec2power(pwNlvl);
}
if (T2[A]=='y')
{ ncyc = 8.0*100.0*(relaxTmax - relaxT);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl-3.0); /* reduce for probe protection */
pwN=pwN*compN*1.4;
}
if (ncyc > 0)
{ initval(ncyc,v1);
loop(v1,v2);
delay(0.625e-3 - pwN);
dec2rgpulse(2*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v2);
}
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl); /* restore normal value */
pwN=getval("pwN");
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
rcvroff();
if (TROSY[A]=='n') dec2rgpulse(pwN, zero, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A]=='n') dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
decpwrf(rfst);
txphase(t1);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{ lk_hold();
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(calH*pw,t1,0.0,0.0); /* 1H pulse excitation */
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(two);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, two, 5.0e-5, 0.0);
obspower(tpwr);
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
delay(2.0e-4);
dec2rgpulse(calN*pwN, t3, 0.0, 0.0);
txphase(zero);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 RELAXATION xxxxxxxxxxxxxxxxxxxx */
if ( (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') )
{
dec2phase(one);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(tNH - gt4 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(tNH - gt4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (T1[A]=='y')
{
dec2rgpulse(pwN, one, 0.0, 0.0);
dec2phase(three);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(2.5e-3 - gt0 - 2.0*GRADIENT_DELAY - pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.5e-3 - pw);
ncyc = (100.0*relaxT);
initval(ncyc,v4);
if (ncyc > 0)
{ loop(v4,v5);
delay(2.5e-3 - pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
delay(2.5e-3 - pw);
delay(2.5e-3 - pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.5e-3 - pw);
endloop(v5);
}
dec2rgpulse(pwN, three, 0.0, 0.0);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
/* Theory suggests 8.0 is better than 2PI as RF */
/* field multiplier and experiment confirms this.*/
if (T1rho[A]=='y') /* Shift evolution of 2.0*pwN/PI for one pulse */
{ /* at end left unrefocused as for normal sequence*/
delay(1.0/(8.0*slNrf) - pwN);
decrgpulse(pwN, zero, 0.0, 0.0);
dec2power(slNlvl);
/* minimum 5ms spinlock to dephase */
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); /* spins not locked */
sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
ncyc = 100.0*relaxT;
initval(ncyc,v4);
if (ncyc > 0)
{ loop(v4,v5);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
sim3pulse(2.0*pw, 0.0, 2.0*pw, two, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
endloop(v5);
}
dec2power(pwNlvl);
decrgpulse(pwN, zero, 0.0, 0.0);
delay(1.0/(8.0*slNrf) + 2.0*pwN/PI - pwN);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (T2[A]=='y')
{
dec2phase(zero);
initval(0.0,v3);
initval(180.0,v4);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl-3.0); /* reduce for probe protection */
pwN=pwN*compN*1.4;
}
ncyc = 100.0*relaxT;
initval(ncyc,v5);
loop(v5,v6);
initval(3.0,v7);
loop(v7,v8);
delay(0.625e-3 - pwN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v8);
delay(0.625e-3 - pwN - SAPS_DELAY);
add(v4,v3,v3);
obsstepsize(1.0);
xmtrphase(v3); /* SAPS_DELAY */
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN - pw);
rgpulse(2*pw, zero, 0.0, 0.0);
delay(0.625e-3 - pwN - pw );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
xmtrphase(zero); /* SAPS_DELAY */
delay(0.625e-3 - pwN - SAPS_DELAY);
initval(3.0,v9);
loop(v9,v10);
delay(0.625e-3 - pwN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v10);
endloop(v6);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl); /* restore normal value */
pwN=getval("pwN");
}
}
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if ( (NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') )
{
delay(tau1);
/* optional sech/tanh pulse in middle of t1 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{ decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw);
}
else
{
delay(tNH - 2.0*pw);
}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau1);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(t4);
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else if (TROSY[A]=='y')
{
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);
}
else delay(2.0*tau1);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
delay(gt1 + 2.0e-4 - pwHs - 1.0e-4 - 2.0*POWER_DELAY);
txphase(three);
obspower(tpwrs); /* POWER_DELAY */
shaped_pulse("rna_H2Osinc", pwHs, three, 5.0e-5, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(5.0e-5);
}
else
{ /* fully-coupled spectrum */
if (dm2[C]=='n') {
rgpulse(2.0*pw, zero, 0.0, 0.0);
pw=0.0;
}
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "rna_stC140", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);
delay(gt1 + 2.0e-4);
}
else
{ delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau1);
}
decphase(zero);
pw=getval("pw");
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(t4);
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
if (T1rho[A]=='y') delay(POWER_DELAY);
/* 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(1.5*gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(1.5*gzlvl5, 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 - 0.65*pw + 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();
}
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, 0.1*gt1);
else zgradpulse(icosel*gzlvl2, 0.1*gt1); /* 2.0*GRADIENT_DELAY */
rcvron();
statusdelay(C,1.0e-4-rof1);
if (dm3[B] == 'y') {
delay(1/dmf3);
lk_sample();
}
setreceiver(t12);
}
pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
SE_flg[MAXSTR];
int icosel = 0,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,pwS8,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
shlvl1 = getval("shlvl1"),
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
d2 = getval("d2"),
timeTN = getval("timeTN"),
Delta,
tauNCO = getval("tauNCO"),
tauC = getval("tauC"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("SE_flg",SE_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t10,1,phi10);
settable(t12,8,phi12);
settable(t13,8,phi13);
/* INITIALIZE VARIABLES */
Delta = timeTN-tauNCO;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS8 = c_shapedpw("reburp",60.0 ,-135.0,zero, 0.0, 0.0);
pwS4 = h_shapedpw("eburp2",4.0,3.5,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",4.0,3.5,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
if (SE_flg[0] == 'y')
{
if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3-pwS4))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-Delta-pwS3-pwS4)*2.0*sw2))); psg_abort(1);}
}
else
{
if ( ni2*1/(sw2)/2.0 > (timeTN-Delta-pwS3))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-Delta-pwS3)*2.0*sw2))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) {tsadd(t1,1,4);}
if (SE_flg[0] =='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else
{
if (phase2 == 2) {tsadd(t3,1,4); icosel = 1;}
}
tau1 = d2;
if((f1180[A] == 'y') )
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
tau2 = d3;
if((f2180[A] == 'y') )
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
status(A);
decpower(pwClvl);
dec2power(pwNlvl);
set_c13offset("co");
zgradpulse(gzlvl6, gt6);
delay(1.0e-4);
delay(d1-gt6);
lk_hold();
rcvroff();
h_shapedpulse("pc9f",4.0,3.5,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_shapedpulse("pc9f_",4.0,3.5,one, 2.0e-6, 0.0);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-Delta-pwS3-taunh*0.5-shpw1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(taunh*0.5);
dec2rgpulse(pwN,zero,0.0,0.0);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx CA->CO TRANSFER xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t2, 2.0e-6, 0.0);
/*
initval(0.0, v2);
decstepsize(1.0);
dcplrphase(v2);
*/
zgradpulse(gzlvl4, gt4);
delay(tauC*0.5-gt4);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(tauC-gt4);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);
delay(tauC*0.5);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3*3.5);
delay(1.0e-4);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("co");
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
delay(tau1*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
sim3_c13pulse(shname1, "ca", "co", "square", "",shpw1, 180.0, 0.0,
two, zero, zero, 0.0, 0.0);
if (pwN*2.0 > pwS2) delay(pwN*2.0-pwS2);
c13pulse("co", "ca", "sinc", 90.0, t4, 0.0, 0.0);
/***************************************************************************/
/* CA->CO transfer */
/***************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);
initval(0.0, v2);
decstepsize(1.0);
dcplrphase(v2);
zgradpulse(gzlvl3, gt3*2.0);
delay(tauC*0.5-gt3*2.0);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,two,0.0,0.0);
zgradpulse(gzlvl3, gt3*2.0);
delay(tauC-gt3*2.0);
c_shapedpulse2("isnob5",20.0,0.0,"isnob5",20.0,119.0,zero,0.0,0.0);
delay(tauC*0.5);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
/* dcplrphase(v2); */
/**************************************************************************/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
dec2rgpulse(pwN,t3,0.0,0.0);
delay(tau2*0.5+taunh*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-shpw1-taunh*0.5-gt1-1.0e-4);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
if (SE_flg[0] == 'y')
{
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-tau2*0.5-pwS4-Delta-pwS3);
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
dec2rgpulse(pwN, t10, 0.0, 0.0);
}
else
{
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN-tau2*0.5-Delta-pwS3);
dec2rgpulse(pwN, zero, 0.0, 0.0);
}
/**************************************************************************/
if (SE_flg[0] == 'y')
{
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
dec2rgpulse(pwN, one, 0.0, 0.0);
h_shapedpulse("eburp2_",4.0,3.5,one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_shapedpulse("eburp2",4.0,3.5,zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
h_shapedpulse("reburp",4.0,3.5,zero, 0.0, 0.0);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
h_shapedpulse("eburp2",4.0,3.5,zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",4.0,3.5,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5-POWER_DELAY-1.0e-4);
}
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
setreceiver(t13);
else
setreceiver(t12);
rcvron();
statusdelay(C,1.0e-4 );
}
void pulsesequence()
{
double j1xh,
pwx2lvl,
pwx2,
hsglvl,
hsgt,
tau,
null,
satfrq,
satdly,
satpwr;
int iphase;
char sspul[MAXSTR],
nullflg[MAXSTR],
PFGflg[MAXSTR],
satmode[MAXSTR];
null = getval("null");
pwx2lvl = getval("pwx2lvl");
pwx2 = getval("pwx2");
hsglvl = getval("hsglvl");
hsgt = getval("hsgt");
j1xh = getval("j1xh");
getstr("PFGflg",PFGflg);
getstr("nullflg",nullflg);
satfrq = getval("satfrq");
satdly = getval("satdly");
satpwr = getval("satpwr");
getstr("satmode",satmode);
iphase = (int) (getval("phase") + 0.5);
getstr("sspul",sspul);
tau = 1.0 / (2.0*j1xh);
if ((iphase == 1)||(iphase == 2))
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
else
assign(zero, v14);
/* Check for correct DM settings */
if ((dm2[A] == 'y') || (dm2[B] == 'y'))
{
printf("DM must be set to either 'nny' or 'nnn'.\n");
psg_abort(1);
}
settable(t1,8,phs1);
settable(t2,8,phs2);
settable(t3,2,phs3);
settable(t4,1,phs4);
settable(t5,4,phs5);
getelem(t3,ct,v3);
getelem(t2,ct,oph);
if (iphase == 2)
incr(v3);
add(v14, v3, v3);
add(v14, oph, oph);
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
status(A);
dec2power(pwx2lvl);
if (sspul[0] == 'y')
{
if (PFGflg[0] == 'y')
{
zgradpulse(hsglvl,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(hsglvl,hsgt);
}
else
{
obspower(tpwr-12);
rgpulse(500*pw,zero,rof1,rof1);
rgpulse(500*pw,one,rof1,rof1);
obspower(tpwr);
}
}
delay(d1);
if (satmode[0] == 'y')
{
if (satfrq != tof)
obsoffset(satfrq);
obspower(satpwr);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
if (satfrq != tof)
obsoffset(tof);
}
status(B);
if (PFGflg[0] == 'y')
{
if (nullflg[0] == 'y')
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(tau);
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,rof1,rof1);
delay(tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
}
else
{
if (null != 0.0)
{
rgpulse(pw,zero,rof1,rof1);
delay(tau);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1,rof1);
delay(tau);
rgpulse(pw,two,rof1,rof1);
delay(null);
}
}
rcvroff();
rgpulse(pw, t1, rof1, rof1);
delay(tau - (2*pw/PI) - 2*rof1);
dec2rgpulse(pwx2, v3, rof1, 1.0e-6);
if (d2 > 0.0)
delay(d2/2.0 - pw - 3.0e-6 - (2*pwx2/PI));
else
delay(d2/2.0);
rgpulse(2.0*pw, t4, 2.0e-6, 2.0e-6);
if (d2 > 0.0)
delay(d2/2.0 - pw - 3.0e-6 - (2*pwx2/PI));
else
delay(d2/2.0);
dec2rgpulse(pwx2, t5, 1.0e-6, rof2);
rcvron();
dec2power(dpwr2);
delay(tau - POWER_DELAY);
status(C);
}
void pulsesequence()
{
double ss,
arraydim,
p1lvl,
trim,
mix,
window,
cycles,
phase;
int iphase;
char sspul[MAXSTR];
/* LOAD AND INITIALIZE VARIABLES */
ni = getval("ni");
arraydim = getval("arraydim");
mix = getval("mix");
trim = getval("trim");
phase = getval("phase");
iphase = (int) (phase + 0.5);
p1lvl = getval("p1lvl");
ss = getval("ss");
window=getval("window");
getstr("sspul", sspul);
if (iphase == 3)
{
initval((double)((int)((ix-1)/(arraydim/ni)+1.0e-6)), v14);
}
else
{
assign(zero, v14);
}
/* CHECK CONDITIONS */
if ((iphase != 3) && (arrayelements > 2))
{
fprintf(stdout, "PHASE=3 is required if MIX is arrayed!\n");
psg_abort(1);
}
if (satdly > 9.999)
{
fprintf(stdout, "Presaturation period is too long.\n");
psg_abort(1);
}
if (!newtransamp)
{
fprintf(stdout, "TOCSY requires linear amplifiers on transmitter.\n");
fprintf(stdout, "Use DECTOCSY with the appropriate re-cabling,\n");
psg_abort(1);
}
if ((p1 == 0.0) && (ix == 1))
fprintf(stdout, "Warning: P1 has a zero value.\n");
if ((rof1 < 9.9e-6) && (ix == 1))
fprintf(stdout,"Warning: ROF1 is less than 10 us\n");
if (satpwr > 40)
{
printf("satpwr too large - acquisition aborted./n");
psg_abort(1);
}
/* DETERMINE STEADY-STATE MODE */
if (ss < 0)
{
ss = (-1) * ss;
}
else
{
if ((ss > 0) && (ix == 1))
{
ss = ss;
}
else
{
ss = 0;
}
}
initval(ss, ssctr);
initval(ss, ssval);
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
hlv(ct, v13);
mod2(ct, v1);
hlv(ct, v2);
elsenz(ssctr);
sub(ssval, ssctr, v12); /* v12 = 0,...,ss-1 */
hlv(v12, v13);
mod2(v12, v1);
hlv(v12, v2);
endif(ssctr);
/* CALCULATE PHASES */
/* A 2-step cycle is performed on the first pulse (90 degrees) to suppress
axial peaks in the first instance. Second, the 2-step F2 quadrature image
suppression subcycle is added to all pulse phases and receiver phase.
Finally, a 2-step cycle is performed on the spin-lock pulses. */
mod2(v13, v13);
dbl(v1, v1);
incr(v1);
hlv(v2, v2);
mod2(v2, v2);
dbl(v2, v2);
incr(v2);
add(v13, v2, v2);
sub(v2, one, v3);
add(two, v2, v4);
add(two, v3, v5);
add(v1, v13, v1);
assign(v1, oph);
if (iphase == 2)
incr(v1);
if (iphase == 3)
add(v1, v14, v1);
/*HYPERCOMPLEX MODE USES REDFIELD TRICK TO MOVE AXIAL PEAKS TO EDGE*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v6);
if ((iphase==1)||(iphase==2)) {add(v1,v6,v1); add(oph,v6,oph);}
/* CALCULATE AND INITIALIZE LOOP COUNTER */
if (pw > 0.0)
{
cycles = (mix - trim) / (64.66*pw+32*window);
cycles = 2.0*(double) (int) (cycles/2.0);
}
else
{
cycles = 0.0;
}
initval(cycles, v9); /* V9 is the MIX loop count */
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
status(A);
rlpower(p1lvl, TODEV);
if (sspul[0] == 'y')
{
rgpulse(1000*1e-6, zero, rof1, 0.0e-6);
rgpulse(1000*1e-6, one, 0.0e-6, rof1);
}
hsdelay(d1);
if (getflag("wet")) wet4(zero,one);
rlpower(p1lvl, TODEV);
if (satmode[A] == 'y')
{ rlpower(satpwr,TODEV);
rgpulse(satdly,zero,rof1,rof2);
rlpower(p1lvl,TODEV);}
status(B);
rgpulse(p1, v1, rof1, 1.0e-6);
if (satmode[B] =='y')
{
if (d2 > 0.0)
{
rlpower(satpwr,TODEV);
rgpulse(d2 - (2*POWER_DELAY) - 1.0e-6 - (2*p1/3.1416),zero,0.0,0.0);
}
}
else
{
if (d2 > 0.0)
delay(d2 - POWER_DELAY - 1.0e-6 - (2*p1/3.1416));
}
rcvroff();
rlpower(tpwr,TODEV);
txphase(v13);
xmtron();
delay(trim);
if (cycles > 1.0)
{
starthardloop(v9);
mleva(window); mleva(window); mlevb(window); mlevb(window);
mlevb(window); mleva(window); mleva(window); mlevb(window);
mlevb(window); mlevb(window); mleva(window); mleva(window);
mleva(window); mlevb(window); mlevb(window); mleva(window);
rgpulse(.66*pw,v3,rof1,rof2);
endhardloop();
}
txphase(v13);
xmtroff();
/* detection */
delay(rof2);
rcvron();
status(C);
}
void pulsesequence()
{
double slpwr,
slpw,
mix,
hsglvl,
hsgt,
gzlvlz,
gtz,
zfpw,
zfpwr,
cycles;
int iphase;
char sspul[MAXSTR],
composit[MAXSTR],
compshape[MAXSTR],
zfilt[MAXSTR],
zfshp[MAXSTR];
/* LOAD AND INITIALIZE PARAMETERS */
mix = getval("mix");
iphase = (int) (getval("phase") + 0.5);
slpwr = getval("slpwr");
slpw = getval("slpw");
getstr("sspul", sspul);
hsglvl = getval("hsglvl");
hsgt = getval("hsgt");
gzlvlz = getval("gzlvlz");
gtz = getval("gtz");
zfpwr = getval("zfpwr");
zfpw = getval("zfpw");
getstr("zfshp",zfshp);
getstr("zfilt",zfilt);
getstr("composit",composit);
getstr("compshape",compshape);
sub(ct,ssctr,v7);
settable(t1,4,ph1); getelem(t1,v7,v1);
settable(t2,8,ph2); getelem(t2,v7,v2); add(v2,two,v3);
settable(t3,8,ph3); getelem(t3,v7,oph);
settable(t4,8,ph4); getelem(t4,v7,v4);
settable(t5,4,ph5); getelem(t5,v7,v5);
settable(t6,8,ph6); getelem(t5,v7,v6);
if (zfilt[0] == 'n') assign(v1,oph);
if (iphase == 2)
{incr(v1); incr(v6);} /* hypercomplex method */
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v13);
add(v1,v13,v1);
add(v6,v13,v6);
add(oph,v13,oph);
cycles = mix / (4.0 * slpw);
initval(cycles, v10); /* mixing time cycles */
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-6);
if (sspul[0] == 'y')
{
zgradpulse(hsglvl,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(hsglvl,hsgt);
}
delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
rgpulse(pw, v1, rof1, rof1);
if (d2 > (POWER_DELAY + (2.0*pw/PI) + rof1))
delay(d2 - POWER_DELAY - (2.0*pw/PI) - rof1);
else {
if (ix == 1)
dps_show("delay",d2);
else if ((ix > 2) && (iphase < 2))
text_error("increment %d cannot be timed properly\n", (int) ix/2);
}
obspower(slpwr);
if (cycles > 1.5000)
{
obsunblank(); xmtron();
starthardloop(v10);
txphase(v2);
delay(2*slpw);
txphase(v3);
delay(2*slpw);
endhardloop();
xmtroff(); obsblank();
}
if (zfilt[0] == 'y')
{
obspower(tpwr);
rgpulse(pw,v4,1.0e-6,rof1);
zgradpulse(gzlvlz,gtz);
delay(gtz/3);
obspower(zfpwr);
shaped_pulse(zfshp,zfpw,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvlz/4,gtz/3);
obspower(tpwr);
delay(gtz/8);
if (composit[0] == 'y')
{
if (rfwg[OBSch-1] == 'y')
shaped_pulse(compshape,4.0*pw+0.8e-6,v5,rof1,rof2);
else
comp90pulse(pw,v5,rof1,rof2);
}
else
rgpulse(pw,v5,rof1,rof2);
}
else
delay(rof2);
status(C);
}
pulsesequence()
{
double slpwrT = getval("slpwrT"),
slpwT = getval("slpwT"),
mixT = getval("mixT"),
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvl2 = getval("gzlvl2"),
gt2 = getval("gt2"),
gstab = getval("gstab"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
selfrq = getval("selfrq"),
zqfpw1 = getval("zqfpw1"),
zqfpwr1 = getval("zqfpwr1"),
zqfpw2 = getval("zqfpw2"),
zqfpwr2 = getval("zqfpwr2"),
gzlvlzq1 = getval("gzlvlzq1"),
gzlvlzq2 = getval("gzlvlzq2"),
phincr1 = getval("phincr1");
char slpatT[MAXSTR], selshapeA[MAXSTR], selshapeB[MAXSTR], zqfpat1[MAXSTR],
zqfpat2[MAXSTR], flipback[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("zqfpat1",zqfpat1);
getstr("zqfpat2",zqfpat2);
getstr("flipback", flipback);
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);
/* 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); /* v13 = 0,...,ss-1 */
endif(ssctr);
mod4(v13,v1); /* v1 = 0 1 2 3 */
hlv(v13,v13);
hlv(v13,v13);
mod4(v13,v11); /* v11 = 0000 1111 2222 3333 */
dbl(v1,oph);
add(v11,oph,oph);
add(v11,oph,oph); /* oph = 2v1 + 2v11 */
/* CYCLOPS */
hlv(v13,v13);
hlv(v13,v14);
add(v1,v14,v1);
add(v11,v14,v11);
add(oph,v14,oph);
assign(v14,v21);
add(one,v21,v21);
add(two,v21,v12);
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v5);
mod2(ct,v2); /* 01 01 */
hlv(ct,v4); hlv(v4,v4); mod2(v4,v4); dbl(v4,v4); /* 0000 2222 */
add(v4,v2,v4); mod4(v4,v4); /* 0101 2323 first echo in Excitation Sculpting */
hlv(ct,v7); mod2(v7,v7); /* 0011 */
hlv(ct,v9); hlv(v9,v9); hlv(v9,v9); dbl(v9,v9); add(v9,v7,v9);
mod4(v9,v9); /* 0011 0011 2233 2233 second echo in Excitation Sculpting */
dbl(v2,v2); /* 0202 */
dbl(v7,v7); /* 0022 */
add(v2,v7,v7); /* 0220 correct oph for Excitation Sculpting */
add(oph,v7,oph); mod4(oph,oph);
if (alt_grd[0] == 'y') mod2(ct,v10); /* 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, v14, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
ifzero(v10); zgradpulse(gzlvlA,gtA);
elsenz(v10); zgradpulse(-gzlvlA,gtA); endif(v10);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v1,rof1,rof1);
obspower(tpwr);
ifzero(v10); zgradpulse(gzlvlA,gtA);
elsenz(v10); zgradpulse(-gzlvlA,gtA); endif(v10);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
ifzero(v10); zgradpulse(gzlvlB,gtB);
elsenz(v10); zgradpulse(-gzlvlB,gtB); endif(v10);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v11,rof1,rof1);
obspower(tpwr);
ifzero(v10); zgradpulse(gzlvlB,gtB);
elsenz(v10); zgradpulse(-gzlvlB,gtB); endif(v10);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
rgpulse(pw, v14, rof1, rof1);
if (getflag("Gzqfilt"))
{
obspower(zqfpwr1);
ifzero(v10); rgradient('z',gzlvlzq1);
elsenz(v10); rgradient('z',-gzlvlzq1); endif(v10);
delay(100.0e-6);
shaped_pulse(zqfpat1,zqfpw1,v14,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
}
obspower(slpwrT);
ifzero(v10); zgradpulse(gzlvl1,gt1);
elsenz(v10); zgradpulse(-gzlvl1,gt1); endif(v10);
delay(gstab);
if (mixT > 0.0)
{
if (dps_flag)
rgpulse(mixT,v21,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v21);
}
if (getflag("Gzqfilt"))
{
obspower(zqfpwr2);
ifzero(v10); rgradient('z',gzlvlzq2);
elsenz(v10); rgradient('z',-gzlvlzq2); endif(v10);
delay(100.0e-6);
shaped_pulse(zqfpat2,zqfpw2,v14,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
}
obspower(tpwr);
ifzero(v10); zgradpulse(gzlvl2,gt2);
elsenz(v10); zgradpulse(-gzlvl2,gt2); endif(v10);
delay(gstab);
if (flipback[A] == 'y')
FlipBack(v14,v5);
rgpulse(pw,v14,rof1,2.0e-6);
ExcitationSculpting(v4,v9,v10);
delay(rof2);
status(C);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char C13refoc[MAXSTR],comp_flg[MAXSTR],fsat[MAXSTR],f1180[MAXSTR];
int phase,t1_counter;
double pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the stCall pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
tau1, /* t1 delay */
taua, /* < 1 / 4J(NH) 2.25 ms */
taub, /* 1 / 4J(NH) in NH : 2.68 ms */
pwn, /* PW90 for N-nuc */
pwN, /* N15 pw90 for BioPack */
pwNlvl, /* N15 power for BioPack */
pwn_cp, /* PW90 for N CPMG */
pwHs, /* BioPack selective PW90 for water excitation */
compH, /* amplifier compression factor*/
compN, /* amplifier compression factor*/
phase_sl,
tsatpwr, /* low power level for presat */
tpwrsf_u, /* fine power adjustment on flip-up sel 90 */
tpwrsf_d, /* fine power adjustment on flip-down sel 90 */
tpwrsl, /* low power level for sel 90 */
dhpwr2, /* power level for N hard pulses */
dpwr2_comp, /* power level for CPMG compensation */
dpwr2_cp, /* power level for N CPMG */
tauCPMG, /* CPMG delay */
ncyc, /* number of times to loop */
ncyc_max, /* max number of times to loop */
time_T2, /* total time for T2 measuring */
tofps, /* water freq */
sw1,
pwr_delay, /* POWER_DELAY recalculated*/
timeC,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gstab, /* stabilization delay */
BPpwrlimits, /* =0 for no limit, =1 for limit */
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6;
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
/* LOAD VARIABLES */
getstr("C13refoc", C13refoc);
/* taub = 1/(8*93.0); */
taua = getval("taua");
taub = getval("taub");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
pwn = getval("pwn");
pwn_cp = getval("pwn_cp");
pwHs = getval("pwHs");
compH = getval("compH");
compN = getval("compN");
phase_sl = getval("phase_sl");
tsatpwr = getval("tsatpwr");
tpwrsf_u = getval("tpwrsf_u");
tpwrsf_d = getval("tpwrsf_d");
tpwrsl = getval("tpwrsl");
dhpwr2 = getval("dhpwr2");
dpwr2_comp = getval("dpwr2_comp");
dpwr2_cp = getval("dpwr2_cp");
ncyc = getval("ncyc");
ncyc_max = getval("ncyc_max");
time_T2 = getval("time_T2");
phase = (int) (getval("phase") + 0.5);
sw1 = getval("sw1");
tofps = getval("tofps");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
getstr("fsat",fsat);
getstr("comp_flg",comp_flg);
getstr("f1180",f1180);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* selective H20 one-lobe sinc pulse */
if (pwHs > 0.0)
tpwrsl = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
else tpwrsl = 0.0;
tpwrsl = (int) (tpwrsl); /*power than a square pulse */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
H2OsincA = pbox_Rsh("H2OsincA", "sinc90", pwHs, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwHs = H2OsincA.pw; tpwrsl = H2OsincA.pwr-1.0; /* 1dB correction applied */
pwn = pwN; dhpwr2 = pwNlvl;
}
if (tpwrsf_u < 4095.0)
{
tpwrsl = tpwrsl + 6.0;
pwr_delay = POWER_DELAY + PWRF_DELAY;
}
else pwr_delay = POWER_DELAY;
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }}
/* check validity of parameter range */
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' || dm2[C] == 'y' )
{
printf("incorrect Dec2 decoupler flags! Should be nnn ");
psg_abort(1);
}
if( tsatpwr > 8 )
{
printf("tsatpwr too large !!! ");
psg_abort(1);
}
if( dpwr2_cp > 61 )
{
printf("don't fry the probe, dpwr2_cp too large for cpmg !");
psg_abort(1);
}
if( ncyc > 100)
{
printf("ncyc exceeds 100. May be too much \n");
psg_abort(1);
}
if( time_T2 > 0.090 )
{
printf("total T2 recovery time exceeds 90 msec. May be too long \n");
psg_abort(1);
}
if( ncyc > 0)
{
tauCPMG = time_T2/(4*ncyc) - pwn_cp;
if( ix == 1 )
printf("nuCPMG for current experiment is (Hz): %5.3f \n",1/(4*(tauCPMG+pwn_cp)) );
}
else
{
tauCPMG = time_T2/4 - pwn_cp;
if( ix == 1 )
printf("nuCPMG for current experiment is (Hz): not applicable \n");
}
ncyc_max = time_T2/1e-3;
if( tauCPMG + pwn_cp < 0.000250)
{
printf("WARNING: value of tauCPMG must be larger than or equal to 250 us\n");
printf("maximum value of ncyc allowed for current time_T2 is: %5.2f \n",ncyc_max);
psg_abort(1);
}
if(gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3|| gt4 > 3e-3
|| gt5 > 3e-3 || gt6 > 3e-3 )
{
printf("gti must be less than 3e-3\n");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 8, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 1, phi5);
settable(t6, 1, phi6);
settable(t7, 8, rec);
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t4,2,4);
tsadd(t5,2,4);
tsadd(t6,2,4);
tsadd(t7,2,4);
}
/* Set up f1180 */
tau1 = d2;
if(f1180[A] == 'y')
tau1 += ( 1.0 / (2.0*sw1) - (pw + pwN*2.0/3.1415));
else
tau1 = tau1 - pw;
if(tau1 < 0.2e-6) tau1 = 0.2e-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(t2,2,4);
tsadd(t3,2,4);
tsadd(t7,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decpower(dpwr); /* Set decoupler1 power to dpwr */
decpower(pwClvl);
decpwrf(rfst);
decoffset(dof);
dec2power(dhpwr2); /* Set decoupler2 power to dhpwr2 */
/* Presaturation Period */
if(fsat[0] == 'y')
{
obspower(tsatpwr); /* Set power for presaturation */
obsoffset(tofps); /* move H carrier to the water */
rgpulse(d1,zero,rof1,rof1); /* presat. with transmitter */
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
obsoffset(tof);
status(B);
/* apply the compensation 15N pulses if desired */
if(comp_flg[A] == 'y') {
dec2power(dpwr2_comp); /* Set decoupler2 compensation power */
timeC = time_T2*(ncyc_max-ncyc)/ncyc_max;
dec2rgpulse(timeC,zero,0.0,0.0);
dec2power(dhpwr2);
}
rcvroff();
delay(20.0e-6);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,three,rof1,0.0);
else
shaped_pulse("H2Osinc_d",pwHs,three,rof1,0.0);
if (tpwrsf_d<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
rgpulse(pw,two,rof1,0.0);
txphase(zero);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 - gstab -2.0e-6); /* delay < 1/4J(XH) */
sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(t1);
delay(taua - gt1 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
if (BPpwrlimits > 0.5)
{
dec2power(dpwr2_cp -3.0); /* reduce for probe protection */
pwn_cp=pwn_cp*compN*1.4;
}
else
dec2power(dpwr2_cp); /* Set decoupler2 power to dpwr2_cp for CPMG period */
dec2rgpulse(pwn_cp,t1,rof1,2.0e-6);
dec2phase(zero);
/* start of the CPMG train for first period time_T2/2 on Ny(1-2Hz) */
if(ncyc > 0)
{
delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6);
dec2rgpulse(2*pwn_cp,one,0.0,0.0);
delay(tauCPMG);
}
if(ncyc > 1)
{
initval(ncyc-1,v4);
loop(v4,v5);
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,one,0.0,0.0);
delay(tauCPMG);
endloop(v5);
}
/* eliminate cross-relaxation */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
delay(taub - gt3 - gstab -2.0e-6 - pwn_cp);
/* composite 1H 90y-180x-90y on top of 15N 180x */
dec2rgpulse(pwn_cp-2*pw,zero,0.0e-6,0.0);
sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0);
sim3pulse(2*pw,0.0e-6,2*pw,zero,zero,zero,0.0,0.0);
sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0);
dec2rgpulse(pwn_cp-2*pw,zero,0.0,0.0e-6);
/* composite 1H 90y-180x-90y on top of 15N 180x */
delay(taub - gt3 - gstab -2.0e-6 - pwn_cp - 4.0*pw);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
/* start of the CPMG train for second period time_T2/2 on Nx(1-2Iz) */
if(ncyc > 1)
{
initval(ncyc-1,v4);
loop(v4,v5);
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,zero,0.0,0.0);
delay(tauCPMG);
endloop(v5);
}
if(ncyc > 0)
{
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,zero,0.0,0.0);
delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6);
}
dec2phase(one);
dec2rgpulse(pwn_cp,one,2.0e-6,0.0);
delay(rof1);
dec2power(dhpwr2); /* Set decoupler2 power back to dhpwr2 */
dec2phase(t3);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
if(phase==1)
dec2rgpulse(pwn,t2,rof1,0.0);
if(phase==2)
dec2rgpulse(pwn,t3,rof1,0.0);
txphase(t4);
decphase(one);
dec2phase(zero);
/* 15N chemical shift labeling with optional 13C decoupling of Ca & C'*/
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);}
else delay(2.0*tau1);
/* finish of 15N shift labeling*/
rgpulse(pw,t4,0.0,0.0);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,t5,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,t5,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab/2.0);
delay(taua - pwr_delay - rof1 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - pwr_delay
- gt5 - gstab/2.0 -2.0e-6);
sim3pulse(2.0*pw,0.0,2.0*pwn,zero,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab/2.0);
delay(taua
- gt5 - 2.0e-6 -gstab
- pwr_delay - rof1 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - pwr_delay - 2.0e-6);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,zero,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,zero,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
sim3pulse(pw,0.0e-6,pwn,zero,zero,t6,2.0e-6,0.0);
txphase(zero);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab/2.0);
delay(taua - gt6 - gstab/2.0 -2.0e-6 - pwr_delay
- pwHs);
initval(1.0,v3);
obsstepsize(phase_sl);
xmtrphase(v3);
obspower(tpwrsl);
if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,two,rof1,0.0);
else
shaped_pulse("H2Osinc_d",pwHs,two,rof1,0.0);
if (tpwrsf_d<4095.0) obspwrf(4095.0);
obspower(tpwr);
xmtrphase(zero);
sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,rof1,rof1);
initval(1.0,v3);
obsstepsize(phase_sl);
xmtrphase(v3);
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,two,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,two,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
xmtrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab/2.0);
delay(taua - pwHs - gt6 - gstab/2.0 -2.0e-6
+ 2.0*pw/PI - pwn
- 2.0*POWER_DELAY);
dec2rgpulse(pwn,zero,0.0,0.0);
decpower(dpwr); /* lower power on dec */
dec2power(dpwr2); /* lower power on dec2 */
/* acquire data */
status(C);
setreceiver(t7);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter=getval("t1_counter"), /* used for states tppi in t1 */
t2_counter=getval("t2_counter"), /* used for states tppi in t2 */
nli = getval("nli"),
nli2 = getval("nli2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a = getval("pwC3a"), /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power for pwHs pulse */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* the pwC3 pulse at the middle of t1 */
if ((nli2 > 0.0) && (nli == 1.0)) nli = 0.0;
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0;
if ( nli > 1 ) pwC3 = pwC3a;
if ( pwC3 > 0 ) phshift3 = 48.0;
else phshift3 = 0.0;
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*nli2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" nli2 is too big. Make nli2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (nli>1 || nli2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
if( ix == 1) d2_init = d2;
tau1 = d2_init + (t1_counter) / sw1;
if((f1180[A] == 'y') && (nli > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
if( ix == 1) d3_init = d3;
tau2 = d3_init + (t2_counter) / sw2;
if((f2180[A] == 'y') && (nli2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf); tpwrs=tpwrs+6.0;}
obspower(tpwrs);
if (TROSY[A]=='y')
{txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - 0.5*kappa - WFG3_START_DELAY);
}
else
{txphase(zero);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
}
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
if ((nli>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 13C evolution during pwC6 is at 60% rate */
decpwrf(rf3);
if(tau1 - 0.6*pwC6 - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 0.6*pwC6 - WFG3_START_DELAY - 0.5*pwZ);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC3", "", 0.0, pwC3a, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift3, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(tau1 - 0.6*pwC6 - SAPS_DELAY - 0.5*pwZ- WFG_START_DELAY - 2.0e-6);
}
else
{
initval(180.0, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(2.0*tau1 - 2.0*0.6*pwC6 - SAPS_DELAY - WFG_START_DELAY - 2.0e-6);
}
}
else if ((nli==1.0) && (pwC3==1.0e-6)) /* 13CO evolution for dof calib. */
{
decpwrf(rf8);
delay((1.0/(dfrq*80.0)) + 2.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0);
}
else if (nli==1.0) /* special 1D check of pwC3 phase enabled when nli=1 */
{
decpwrf(rf3);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1 + WFG_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC3", "", 0.0, pwC3, 2.0*pwN, zero, zero, zero,
2.0e-6 , 0.0);
initval(phshift3, v3);
decstepsize(1.0);
dcplrphase(v3); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else /* 13CO evolution refocused for 1st increment, or when nli=0 */
{
decpwrf(rf8);
delay(12.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0);
delay(10.0e-6);
}
decphase(t5);
decpwrf(rf6);
delay(2.0e-6); /* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
txphase(one);
dcplrphase(zero);
delay(2.0e-4);
if (TROSY[A]=='n')
{rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();}
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf8);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
dec2phase(t10);
decpwrf(rf3);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC3a - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs);
if (tpwrsf<4095.0)
{obspwrf(tpwrsf); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(1.0e-4 - POWER_DELAY);
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
txphase(t4);
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
obspower(tpwr);
if (tpwrsf<4095.0)
{obspwrf(4095.0); /* POWER_DELAY */
delay(0.50e-4 - POWER_DELAY - PWRF_DELAY);}
else
delay(0.50e-4 - POWER_DELAY);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl2, gt1/10.0);
else zgradpulse(gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 );
setreceiver(t12);
}
void pulsesequence()
{
double base,
qlvl;
char sspul[MAXSTR];
/* LOAD VARIABLES AND CHECK CONDITIONS */
qlvl = getval("qlvl");
getstr("sspul", sspul);
base = 180.0 / qlvl;
initval(2.0 * qlvl, v5);
if ((rof1 < 9.9e-6) && (ix == 1))
fprintf(stdout,"Warning: ROF1 is less than 10 us\n");
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
modn(ct, v5, v10);
divn(ct, v5, v12);
mod2(ct, v9);
elsenz(ssctr);
sub(ssval, ssctr, v14); /* v14 = 0,...,ss-1 */
modn(v14, v5, v10);
divn(v14, v5, v12);
mod2(v14, v9);
endif(ssctr);
/* CALCULATE PHASECYCLE */
/* The phasecycle first performs a (2*Q)-step cycle on the third pulse in order
to select for MQC. The phasecycle is then adjusted so that the receiver
goes +- in an alternating fashion. Second, the 2-step QIS cycle is added
in. Third, a 2-step cycle for axial peak suppression is performed on the
first pulse. */
assign(v12, v1);
mod2(v12, v12); /* v12=quad. image suppression */
hlv(v1, v1);
mod2(v1, v1);
dbl(v1, v1);
add(v1, v12, v4);
add(v12, v1, v1);
assign(v12, v2);
assign(v12, v3);
dbl(v9, v9);
add(v9, v4, v4);
assign(v4, oph);
if (phase1 == 2)
incr(v1);
if (phase1 == 3)
add(id2, v1, v1); /* TPPI increment */
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
if (newtrans)
obsstepsize(base);
status(A);
if (sspul[A] == 'y')
{
rgpulse(200*pw, zero, rof1,0.0e-6);
rgpulse(200*pw, one, 0.0e-6, rof1);
}
if (satmode[A] == 'y')
{
obspower(satpwr);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
}
status(B);
if (newtrans)
xmtrphase(v10); /* hardware digital phaseshift */
rgpulse(pw, v1, rof1, 1.0e-6);
if (satmode[B] == 'y')
{
obspower(satpwr);
if (d2>0.0) rgpulse(d2 -9.4e-6 -rof1 -(4*pw)/3.1416,zero,0.0,0.0);
obspower(tpwr);
}
else
{
if (d2>0.0) delay(d2 -1.0e-6 -rof1 -(4*pw)/3.1416);
}
rcvroff();
rgpulse(pw, v2, rof1, 0.0);
if (newtrans)
{
xmtrphase(zero); /* resets relative phase to absolute phase */
}
else
{
phaseshift(-base, v10, OBSch); /* software small-angle phaseshift */
}
rgpulse(pw, v3, 1.0e-6, rof2);
status(C);
}
pulsesequence()
{
char N15edit[MAXSTR], C13edit[MAXSTR]; /* C13 editing*/
double tpwrs,pwC,d2,tau,d3,d4,d5,d6,
gt2,gt3,gt0,gzlvl0,gzlvl2,gzlvl3,phincr1,tpwrsf_u,tpwrsf_d,pwHs,compH,
pwN,pwNlvl,ref_pwr,ref_pw90,pwZa,pwClvl,JXH;
pwC=getval("pwC");
pwClvl=getval("pwClvl");
ref_pw90=getval("ref_pw90");
ref_pwr=getval("ref_pwr");
pwHs=getval("pwHs");
gt2=getval("gt2");
gt3=getval("gt3");
gt0=getval("gt0");
/* tau=getval("tau"); */
d2=getval("d2");
d3=getval("d3");
d4=getval("d4");
d5=getval("d5");
gzlvl2=getval("gzlvl2");
gzlvl3=getval("gzlvl3");
gzlvl0=getval("gzlvl0");
phincr1 = getval("phincr1");
d6=getval("d6");
JXH = getval("JXH");
tpwrsf_u = getval("tpwrsf_u"); /* fine power adjustment */
tpwrsf_d = getval("tpwrsf_d"); /* fine power adjustment */
pwHs = getval("pwHs"); /* H1 90 degree pulse length at tpwrs2 */
compH = getval("compH");
pwNlvl = getval("pwNlvl"); /* power for N15 pulses */
pwN = getval("pwN"); /* N15 90 degree pulse length at pwNlvl */
getstr("N15edit",N15edit);
getstr("C13edit",C13edit);
pwZa=pw; /* initialize variable */
/* optional editing for C13 enriched samples */
if ((N15edit[A]=='y') && (C13edit[A]=='n'))
{
pwC = 0.0;
if (2.0*pw > 2.0*pwN) pwZa = pw;
else pwZa = pwN;
}
if ((C13edit[A]=='y')&& (N15edit[A]=='n'))
{
pwN = 0.0;
if (2.0*pw > 2.0*pwC) pwZa = pw;
else pwZa = pwC;
}
if ((C13edit[A]=='y') && (N15edit[A]=='y'))
{
if (2.0*pw > 2.0*pwN) pwZa = pw; /*pwN always longer than pwC*/
else pwZa = pwN;
}
tau = 1/(2*(JXH));
printf("tau is %f\n",tau);
printf("pwZa is %f\n",pwZa);
/* set pwZa to either pw or pwX depending on which is the largest (for calculating delays) */
/*calculate phase cycle for WATERGATE*/
hlv(ct,v1);
hlv(v1,v2);
mod2(v2,v3);
dbl(v3,v4);
assign(two,v5);
add(v4,v5,v6);
obsstepsize(1.0);
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v7);
settable(t1,16,ph1);
settable(t2,16,ph2);
settable(t3,16,ph3);
settable(t4,16,ph4);
settable(t5,16,ph5);
settable(t6,16,ph6);
settable(t7,16,ph7);
settable(t8,16,ph8);
settable(t9,16,ph9);
settable(t10,2,ph10);
tpwrs=tpwr-20.0*log10(pwHs/(compH*pw*1.69)); /* sinc pulse */
tpwrs = (int) (tpwrs) +6.0; /* to permit finepower ~2048 */
/* START THE PULSE SEQUENCE */
status(A);
decpower(pwClvl);
delay(d1);
obsoffset(tof);
/*zgradpulse(gzlvl2,gt2);
delay(d3+d5-pwHs);*/
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,t2,rof1,rof1);
status(B);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,t1,3.0e-6,0.0);
delay(d2);
zgradpulse(gzlvl2,gt2);
delay(d5);
rgpulse(pw,t3,3.0e-6,3.0e-6);
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,t4,rof1,rof1);
zgradpulse(gzlvl3,gt3);
delay(d3); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,t6,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,t5,3.0e-6,3.0e-6);
delay(d2);
zgradpulse(gzlvl2,gt2);
delay(d5);
delay(d6);
zgradpulse(gzlvl0,gt0);
obspower(tpwrs);
obspwrf(tpwrsf_d);
xmtrphase(v7);
delay(tau-pwHs-pwZa-gt0-d6-pwN);
shaped_pulse("H2Osinc_d",pwHs,v6,rof1,rof1);
obspower(tpwr);
obspwrf(4095.0);
xmtrphase(zero);
dec2power(pwNlvl);
dec2rgpulse(pwN,zero,1.0e-6,1.0e-6);
decrgpulse(pwC,zero,1.0e-6,1.0e-6);
rgpulse(2*pw,t7,1.0e-6, 1.0e-6);
decrgpulse(pwC,t10,1.0e-6,1.0e-6);
dec2rgpulse(pwN,t10,1.0e-6,1.0e-6);
obspower(tpwrs);
obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,t9,rof1,rof1);
delay(tau-pwHs-pwZa-gt0-d6-pwN);
zgradpulse(gzlvl0,gt0);
dec2power(dpwr2);
decpower(dpwr);
delay(d6);
setreceiver(t8);
status(C);
}
pulsesequence()
{
double gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gstab = getval("gstab"),
compH = getval("compH");
char sspul[MAXSTR], pshape[MAXSTR];
int iphase;
shape hdx;
getstr("sspul",sspul);
iphase = (int)(getval("phase")+0.5);
/* Make HADAMARD encoding waveforms */
getstr("pshape", pshape);
hdx = pboxHT_F1e(pshape, pw*compH, tpwr);
/* Setup Phase Cycling */
settable(t1,8,ph1);
settable(t2,8,ph2);
settable(t3,8,ph3);
getelem(t1,ct,v1);
getelem(t2,ct,v2);
getelem(t3,ct,oph);
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v10);
add(v1,v10,v1);
add(oph,v10,oph);
status(A);
delay(5.0e-5);
zgradpulse(gzlvl0,gt0);
if (sspul[0] == 'y')
{
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
pre_sat();
if (getflag("wet"))
wet4(zero,one);
obspower(tpwr);
status(B);
pbox_pulse(&hdx, v1, rof1, 2.0e-6);
obspower(tpwr);
rgpulse(pw, v2, 2.0e-6, rof1);
delay(gt1 + gstab + 2*GRADIENT_DELAY);
rgpulse(2*pw, v2, rof1, rof1);
zgradpulse(-gzlvl1,gt1);
delay(gstab);
rgpulse(pw, v2, rof1, rof2);
zgradpulse(gzlvl2,gt1);
delay(gstab - 2*GRADIENT_DELAY);
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 f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni = getval("ni"),
ni2 = getval("ni2");
double d2_init=0.0, /* used for states tppi in t1 */
d3_init=0.0, /* used for states tppi in t2 */
tau1, /* t1 delay */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
t1a, /* time increments for first dimension */
t1b,
t1c,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
epsilon = 1.05e-3, /* other delays */
zeta = 3.0e-3,
eta = 4.6e-3,
theta = 14.0e-3,
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
widthHd,
pwS1, /* length of square 90 on Cab */
pwS2, /* length of square 180 on Ca */
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 decoupling on Cab */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
waltzB1 = getval("waltzB1"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("TROSY",TROSY);
widthHd=2.069*(waltzB1/sfrq); /* produces same field as std. sequence */
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
kappa = 5.4e-3;
lambda = 2.4e-3;
if( pwC > 24.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( gt4 > epsilon - 0.6*pwC)
{ printf(" gt4 is too big. Make gt4 equal to %f or less.\n",
(epsilon - 0.6*pwC)); psg_abort(1);}
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt0 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
set_c13offset("cab");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(three);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gzlvl0=0.0; gzlvl3=0.0; gzlvl4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, three, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(5.0e-5);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, zero, 0.0, 0.0);
/* point c */
zgradpulse(gzlvl4, gt4);
delay(epsilon - gt4 - 0.6*pwC);
/* WFG2_START_DELAY */
sim_c13pulse("", "cab", "co", "square", 2.0*pw, 180.0,
zero, zero, 2.0e-6, 2.0e-6);
delay(WFG2_START_DELAY);
zgradpulse(gzlvl4, gt4);
delay(epsilon - gt4);
/* point d */
decrgpulse(0.5e-3, zero, 0.0, 0.0);
c13decouple("cab", "DIPSI3", 2.0*spinlock/dfrq, ncyc); /* PRG_STOP_DELAY */
/* point e */
h1decon("DIPSI2", widthHd, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
decphase(t5);
delay(zeta - PRG_STOP_DELAY - PRG_START_DELAY - POWER_DELAY -
PWRF_DELAY - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, t5, 0.0, 0.0); /* Shaka composite */
decrgpulse(pwC*145.5/90.0, t6, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, t5, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, t6, 0.0, 0.0);
decphase(zero);
delay(zeta - 0.5*10.933*pwC - 0.6*pwS1 - WFG_START_DELAY - 2.0e-6);
/* WFG_START_DELAY */
c13pulse("cab", "co", "square", 90.0, zero, 2.0e-6, 0.0); /* point f */
decphase(t5);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
gzlvl0=getval("gzlvl0");
gzlvl3=getval("gzlvl3");
gzlvl4=getval("gzlvl4");
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);
/* point g */
decphase(zero);
delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
/* 2*POWER_DELAY+2*PWRF_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /* pwS2 */
dec2phase(zero);
delay(theta - eta - pwS2 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
/* point h */
nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
pulsesequence()
{
/* DECLARE 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 */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
t1b,
t1c,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
epsilon = 1.05e-3, /* other delays */
zeta = 3.0e-3,
eta = 4.6e-3,
theta = 14.0e-3,
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 */
/* p_d is used to calculate the selective decoupling on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for DIPSI-3 spinlock */
spinlock = getval("spinlock"), /* DIPSI-3 filed strength */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
/* 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, /* rf for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
waltzB1 = getval("waltzB1"), /*Dipsi-2 decoupling field strength (Hz) */
ncyc_dec,
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 */
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
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 > 24.0*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*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/(pwH*2590*4.0);
ncyc_dec = (int) (ncyc_dec + 0.5);
pwH = (DIPSI2time*90.0)/(ncyc_dec*2590*4.0); /* fine correction of pwH based of ncyc_dec */
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);
}
/* dipsi-3 decoupling on CbCa */
p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 spinlock*/
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
ncyc = (int) (ncyc + 0.5);
/* 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;
}
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from epsilon */
epsilon = epsilon -pwC7 -WFG_START_DELAY -gt4 -2.0*GRADIENT_DELAY -5.0e-5;
if ((ni-1)/(2.0*sw1) > 2.0*epsilon)
{
if (tau1 > 2.0*epsilon) sheila = epsilon;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/epsilon-1.0/(2.0*epsilon));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/epsilon - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
t1a = tau1;
t1b = tau1 - sheila;
t1c = epsilon - sheila;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{
tsadd(t3,2,4);
tsadd(t12,2,4);
}
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t8,2,4);
tsadd(t12,2,4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B]=='y') lk_sample();
delay(d1);
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(); /*freezes z0 correction, stops lock pulsing*/
lk_sampling_off();
}
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 X 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, one, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
simpulse(2*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
decphase(t3);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
/* point b */
rgpulse(pw, zero, 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 c */
decphase(zero);
decpwrf(rf7);
delay(t1a);
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
decpwrf(rf2);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
delay(epsilon - 2.0*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(t1b);
decrgpulse(pwC2, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(5.0e-5);
decpwrf(rf7);
delay(t1c);
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
decpwrf(rfd); /* point d */
decrgpulse(1.0e-3, zero, 2.0e-6, 0.0);
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(); /* point e */
obspwrf(tpwr1);
obspower(tpwr-6);
obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */
xmtron();
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 f */
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 g */
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 h */
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);
/* point i */
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 */
obspower(tpwr);
obspwrf(4095.0); /* 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 */
obspower(tpwr);
obspwrf(4095.0); /* 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 */
obspower(tpwr);
obspwrf(4095.0); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_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 */
obspower(tpwr);
obspwrf(4095.0); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_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 */
obspower(tpwr);
obspwrf(4095.0); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_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 */
obspower(tpwr);
obspwrf(4095.0); /* 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 j */
/* 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()
{
/* DECLARE VARIABLES */
char
aliph[MAXSTR], /* aliphatic CHn groups only */
arom[MAXSTR], /* aromatic CHn groups only */
N15refoc[MAXSTR], /* flag for refocusing 15N during indirect H1 evolution */
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /* magic angle gradient */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCshape[MAXSTR], /* C13 inversion pulse shape name */
STUD[MAXSTR], /* Flag to select adiabatic decoupling */
stCdec[MAXSTR], /* contains name of adiabatic decoupling shape */
auto_dof[MAXSTR]; /* automatically adjust dof for aromatic, aliphatic, all carbon */
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 */
double
JCH1 = getval("JCH1"), /* smallest coupling that you wish to purge */
JCH2 = getval("JCH2"), /* largest coupling that you wish to purge */
taud, /* 1/(2JCH1) */
taue, /* 1/(2JCH2) */
/* N15 purging */
tauNH = 1/(4.0*getval("JNH")), /* HN coupling constant */
gt4 = getval("gt4"),
gt14 = getval("gt14"),
gt7 = getval("gt7"),
gt17 = getval("gt17"),
gt8 = getval("gt8"),
gt9 = getval("gt9"),
gzlvl4 = getval("gzlvl4"),
gzlvl14 = getval("gzlvl14"),
gzlvl7 = getval("gzlvl7"),
gzlvl17 = getval("gzlvl17"),
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9"),
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
ni2 = getval("ni2"),
dofa = 0.0, /* actual 13C offset (depends on aliph and arom)*/
rf200 = getval("rf200"), /* rf in Hz for 200ppm STUD+ */
dmf200 = getval("dmf200"), /* dmf for 200ppm STUD+ */
rf30 = getval("rf30"), /* rf in Hz for 30ppm STUD+ */
dmf30 = getval("dmf30"), /* dmf for 30ppm STUD+ */
stdmf = 1.0, /* dmf for STUD decoupling initialized */
studlvl = 0.0, /* coarse power for STUD+ decoupling initialized */
rffil = 0.0, /* fine power level for 200ppm adiabatic pulse */
rfst = 0.0, /* fine power level for adiabatic pulse initialized */
rf0, /* full fine power */
/*compH = getval("compH"), adjustment for H1 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
tau1, /* t1 delay */
tau2, /* t2 delay */
JCH = getval("JCH"), /* CH coupling constant */
Cfil = getval("Cfil"), /* CH coupling constant */
pwC = getval("pwC"), /* PW90 for 13C nucleus @ pwClvl */
pwClvl = getval("pwClvl"), /* high power for 13C hard pulses on dec1 */
pwC180 = getval("pwC180"), /* PW180 for 13C nucleus in INEPT transfers */
pwN = getval("pwN"), /* PW90 for 15N nucleus @ pwNlvl */
pwNlvl = getval("pwNlvl"), /* high power for 15N hard pulses on dec2 */
pwClw=getval("pwClw"),
pwNlw=getval("pwNlw"),
pwZlw=0.0, /* largest of pwNlw and 2*pwClw */
mix = getval("mix"), /* noesy mix time */
sw1 = getval("sw1"), /* spectral width in t1 (H) */
sw2 = getval("sw2"), /* spectral width in t2 (C) */
gstab = getval("gstab"), /* gradient recovery delay (300 us recom.) */
gsign = 1.0,
gzcal = getval("gzcal"), /* dac to G/cm conversion factor */
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
/* LOAD VARIABLES */
getstr("aliph",aliph);
getstr("arom",arom);
getstr("N15refoc",N15refoc);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("STUD",STUD);
getstr("auto_dof",auto_dof);
/* LOAD PHASE TABLE */
settable(t1,8,phi1);
settable(t2,4,phi2);
settable(t3,2,phi3);
settable(t5,1,phi5);
settable(t6,16,phi6);
settable(t7,32,phi7);
if (Cfil == 1) settable(t4,8,rec1);
else settable(t4,32,rec2);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( (arom[A]=='n' && aliph[A]=='n') || (arom[A]=='y' && aliph[A]=='y') )
{
printf("You need to select one and only one of arom or aliph options ");
psg_abort(1);
}
if((dm[A] == 'y' || dm[C] == 'y' ))
{
printf("incorrect 13C decoupler flags! dm='nnnn' or 'nnny' only ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect 15N decoupler flags! No decoupling in relax or mix periods ");
psg_abort(1);
}
if( dpwr > 49 )
{
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( 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( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 || gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 )
{
printf("gti values < 15e-3\n");
psg_abort(1);
}
/* if( gzlvl3*gzlvl4 > 0.0 )*/
if (phase1 == 2)
tsadd(t3,1,4);
if (phase2 == 1) {tsadd(t5,2,4); icosel = +1;}
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0)) tau1 += 1.0/(2.0*sw1);
if(tau1 < 0.2e-6) tau1 = 4.0e-7;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0)) tau2 += ( 1.0 / (2.0*sw2) );
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(t4,2,4);}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if (t2_counter % 2)
{tsadd(t2,2,4); tsadd(t4,2,4);}
/* calculate 3db lower power hard pulses for simultaneous CN decoupling during
indirect H1 evoluion pwNlw and pwClw should be calculated by the macro that
calls the experiment. */
if (N15refoc[A] == 'y')
{
if (pwNlw==0.0) pwNlw = compN*pwN*exp(3.0*2.303/20.0);
if (pwClw==0.0) pwClw = compC*pwC*exp(3.0*2.303/20.0);
if (pwNlw > 2.0*pwClw)
pwZlw=pwNlw;
else
pwZlw=2.0*pwClw;
/* Uncomment to check pwClw and pwNlw
if (d2==0.0 && d3==0.0) printf(" pwClw = %.2f ; pwNlw = %.2f\n", pwClw*1e6,pwNlw*1e6);
*/
}
/* make sure that gt3 and gt1 are of opposite sign to help dephasing H2O */
if (gzlvl3*icosel*gzlvl1 > 0.0) gsign=-1.0;
else gsign=1.0;
/* if coupling constants are input by user use them to calculate delays */
if (Cfil == 1)
{
taud = 1.0/(2.0*JCH1);
taue = 1.0/(2.0*JCH2);
}
else
{
taud = 1.0/(4.0*JCH1);
taue = 1.0/(4.0*JCH2);
}
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if (arom[A]=='y') /* AROMATIC spectrum */
{
/* 30ppm sech/tanh inversion */
rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41));
rfst = (int) (rfst + 0.5);
}
if (aliph[A]=='y') /* ALIPHATIC spectrum */
{
/* 200ppm sech/tanh inversion pulse */
if (pwC180>3.0*pwC)
{
rfst = (compC*4095.0*pwC*4000.0*sqrt((12.07*sfrq/600+3.85)/0.35));
rfst = (int) (rfst + 0.5);
}
else rfst=4095.0;
if( pwC > (20.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1);
}
}
if (Cfil > 1) /* 200ppm pulse for C13 filtering */
{
/* 200ppm sech/tanh inversion pulse */
if (pwC180>3.0*pwC)
{
rffil = (compC*4095.0*pwC*4000.0*sqrt((12.07*sfrq/600+3.85)/0.35));
rffil = (int) (rffil + 0.5);
}
else rfst=4095.0;
if( pwC > (20.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 20*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;
if (arom[A]=='y') /* AROMATIC spectrum */
{
bw = 30.0*ppm; pws = 0.001; ofs = 0.0; nst = 500.0;
stC30 = pbox_makeA("stC30", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
}
if ((aliph[A]=='y') || (Cfil > 1))
{
bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000.0;
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
}
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (arom[A]=='y') rfst = stC30.pwrf;
if (aliph[A]=='y')
{
if (pwC180>3.0*pwC) rfst = stC200.pwrf;
else rfst = 4095.0;
}
if (Cfil > 1)
{
if (pwC180>3.0*pwC) rffil = stC200.pwrf;
else rffil = 4095.0;
}
}
if (arom[A]=='y')
{
dofa=dof+(125-43)*dfrq;
strcpy(stCshape, "stC30");
/* 30 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec30");
stdmf = dmf30;
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf30);
studlvl = (int) (studlvl + 0.5);
}
if (aliph[A]=='y')
{
dofa=dof;
strcpy(stCshape, "stC200");
/* 200 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec200");
stdmf = dmf200;
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf200);
studlvl = (int) (studlvl + 0.5);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
if (auto_dof[A]=='y') decoffset(dofa);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for decoupling during tau1 */
dec2pwrf(rf0);
initval(135.0,v1);
obsstepsize(1.0);
delay(d1);
/* destroy N15 and C13 magnetization */
if (N15refoc[A] == 'y') dec2rgpulse(pwN, zero, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
if (N15refoc[A] == 'y') dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
decphase(zero);
dec2phase(zero);
rcvroff();
delay(gstab);
status(B);
if (Cfil == 1)
{
xmtrphase(v1);
rgpulse(pw, t1, rof1 , 0.0);
txphase(zero);
xmtrphase(zero);
/* CN FILTER BEGINS */
zgradpulse(gzlvl8, gt8);
txphase(zero); xmtrphase(zero);
delay(taud -gt8 -2.0*GRADIENT_DELAY -2.0*SAPS_DELAY);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl8, gt8);
delay(taue -gt8 -2.0*GRADIENT_DELAY);
decrgpulse(pwC, zero, 0.0, 0.0);
delay(taud -taue -pwC);
/* CN FILTER ENDS */
}
else if (Cfil == 2)
{
txphase(t6);
rgpulse(pw, t6, rof1, 0.0); /* 90 deg 1H pulse */
/* BEGIN 1st FILTER */
txphase(zero);
zgradpulse(gzlvl8,gt8);
decpwrf(rffil);
delay(taud -gt8 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -0.5e-3 +70.0e-6);
simshaped_pulse("", "stC200", 2.0*pw, pwC180, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl8,gt8);
decpwrf(rf0);
delay(taud -gt8 -2.0*GRADIENT_DELAY -0.5e-3 +70.0e-6);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4,gt4);
txphase(t7);
delay(gstab);
rgpulse(pw, t7, 0.0, 0.0);
/* BEGIN 2nd FILTER */
zgradpulse(gzlvl9,gt9);
decpwrf(rffil);
delay(taue -gt9 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -0.5e-3 +70.0e-6);
simshaped_pulse("", "stC200", 2.0*pw, pwC180, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl9,gt9);
decpwrf(rf0);
delay(taue -gt9 -2.0*GRADIENT_DELAY -0.5e-3 +70.0e-6);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl7,gt7);
txphase(t1); xmtrphase(v1);
delay(gstab);
rgpulse(pw, t1, 0.0, 0.0);
txphase(zero); xmtrphase(zero);
}
else if (Cfil == 3)
{
txphase(t6);
rgpulse(pw, t6, rof1, 0.0); /* 90 deg 1H pulse */
/* BEGIN 1st FILTER */
txphase(zero);
zgradpulse(gzlvl8,gt8);
delay(tauNH -gt8 -2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decpwrf(rffil);
delay(tauNH -taud -0.5e-3 -WFG_START_DELAY -PWRF_DELAY);
decshaped_pulse("stC200", pwC180, zero, 0.0, 0.0);
zgradpulse(gzlvl8,gt8);
decpwrf(rf0);
delay(taud -gt8 -2.0*GRADIENT_DELAY -0.5e-3 -PWRF_DELAY);
sim3pulse(pw, pwC, pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl14,gt14);
txphase(t7);
delay(gstab);
rgpulse(pw, t7, 0.0, 0.0);
/* BEGIN 2nd FILTER */
zgradpulse(gzlvl9,gt9);
delay(tauNH -gt9 -2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decpwrf(rffil);
delay(tauNH -taue -0.5e-3 -WFG_START_DELAY -PWRF_DELAY);
decshaped_pulse("stC200", pwC180, zero, 0.0, 0.0);
zgradpulse(gzlvl9,gt9);
decpwrf(rf0);
delay(taue -gt9 -2.0*GRADIENT_DELAY -0.5e-3 -PWRF_DELAY);
sim3pulse(pw, pwC, pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl17,gt17);
txphase(t1); xmtrphase(v1);
delay(gstab);
rgpulse(pw, t1, 0.0, 0.0);
txphase(zero); xmtrphase(zero);
}
/* H1 INDIRECT EVOLUTION BEGINS */
if (ni > 0)
txphase(t3);
{
if ( (N15refoc[A]=='y') && ((tau1 -pwN -2.0*pw/PI -rof1 -SAPS_DELAY) > 0.0) )
{
delay(tau1 -pwN -2.0*pw/PI -SAPS_DELAY);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau1 -pwN -2.0*pw/PI -rof1);
}
else if (tau1 > 2.0*pw/PI +rof1 +SAPS_DELAY)
delay(2.0*tau1 -4.0*pw/PI -2.0*rof1 -SAPS_DELAY);
}
/* H1 INDIRECT EVOLUTION ENDS */
rgpulse(pw, t3, rof1, rof1); /* 2nd 1H 90 pulse */
status(C);
delay(mix -pwC -gt0 -PWRF_DELAY -gstab -2.0*GRADIENT_DELAY);
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0, gt0);
decpwrf(rfst); /* fine power for inversion pulse */
delay(gstab);
/* FIRST HSQC INEPT TRANSFER */
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(1/(4.0*JCH) -gt4 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -pwC180*0.45);
simshaped_pulse("",stCshape,2*pw,pwC180,zero,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf0);
txphase(one);
delay(1/(4.0*JCH) -gt4 -2.0*GRADIENT_DELAY -pwC180*0.45 -PWRF_DELAY -SAPS_DELAY);
rgpulse(pw,one,0.0,0.0);
zgradpulse(gsign*gzlvl3, gt3);
txphase(zero);
delay(gstab);
/* C13 EVOLUTION */
decrgpulse(pwC,t2,0.0,0.0);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau2);
decphase(zero);
delay(gt1 +2.0*GRADIENT_DELAY +gstab -2.0*pw -SAPS_DELAY);
decrgpulse(2*pwC,zero,0.0,0.0);
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl1, gt1);
else zgradpulse(icosel*gzlvl1, gt1);
decphase(t5);
delay(gstab);
decrgpulse(pwC,t5,0.0,0.0);
delay(pw);
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(1/(8.0*JCH) -gt5 -SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */
decrgpulse(2.0*pwC,zero,0.0,2.0e-6);
rgpulse(2.0*pw,zero,0.0,0.0);
zgradpulse(gzlvl5, gt5);
decphase(one);
txphase(one);
delay(1/(8.0*JCH) -gt5 -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */
delay(pwC);
decrgpulse(pwC,one,0.0,2.0e-6);
rgpulse(pw,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
decpwrf(rfst); /* fine power for inversion pulse */
decphase(zero);
txphase(zero);
delay(1/(4.0*JCH) -gt6 -pwC180*0.45 -PWRF_DELAY
-WFG2_START_DELAY -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */
simshaped_pulse("",stCshape,2*pw,pwC180,zero,zero,0.0,0.0);
zgradpulse(gzlvl6, gt6);
decpwrf(rf0);
delay(1/(4.0*JCH) -gt6 -pwC180*0.45 -PWRF_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */
rgpulse(pw,zero,0.0,0.0);
delay(gt2 +gstab +2.0*GRADIENT_DELAY +POWER_DELAY);
rgpulse(2*pw,zero,0.0,0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl2, gt2);
else zgradpulse(gzlvl2, gt2);
delay(gstab);
setreceiver(t4);
rcvron();
if ((STUD[A]=='y') && (dm[D] == 'y'))
{
decpower(studlvl);
decprgon(stCdec, 1.0/stdmf, 1.0);
decon();
}
else
{
decpower(dpwr);
status(D);
}
}
void pulsesequence()
{
double mix;
char sspul[MAXSTR];
/* LOAD VARIABLES */
mix = getval("mix");
getstr("sspul", sspul);
if (phase1 == 3)
initval( (double)d2_index, v14);
else
assign(zero, v14);
/* CHECK CONDITIONS */
if ((rof1 < 9.9e-6) && (ix == 1))
fprintf(stdout,"Warning: ROF1 is less than 10 us\n");
if (satpwr > 40)
{
printf("satpwr too large - acquisition aborted.\n");
psg_abort(1);
}
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
mod2(ct, v2);
hlv(ct, v3);
elsenz(ssctr);
sub(ssval, ssctr, v12); /* v12 = 0,...,ss-1 */
mod2(v12, v2);
hlv(v12, v3);
endif(ssctr);
/* CALCULATE PHASECYCLE */
dbl(v2, v2);
hlv(v3, v10);
hlv(v10, v10);
if (phase1 == 0)
{
assign(v10, v9);
hlv(v10, v10);
mod2(v9, v9);
}
else
{
assign(zero, v9);
}
assign(v10,v1);
hlv(v10, v10);
mod2(v1, v1);
dbl(v1, v1);
add(v9, v2, v2);
mod2(v10, v10);
add(v1, v2, oph);
add(v3, oph, oph);
add(v10, oph, oph);
add(v10, v1, v1);
add(v10, v2, v2);
add(v10, v3, v3);
add(v10,v14,v5);
if (phase1 == 2)
{ incr(v2); incr(v5); }
if (phase1 == 3)
add(v2, v14, v2); /* TPPI phase increment */
/*HYPERCOMPLEX MODE USES REDFIELD TRICK TO MOVE AXIAL PEAKS TO EDGE */
if ((phase1==1)||(phase1==2))
{
initval(2.0*(double)(d2_index%2),v6);
add(v2,v6,v2); add(oph,v6,oph); add(v5,v6,v5);
}
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
if (sspul[A] == 'y')
{
obspower(tpwr-12);
rgpulse(200*pw, zero, rof1, 0.0e-6);
rgpulse(200*pw, one, 0.0e-6, rof1);
obspower(tpwr);
}
if (d1>hst) hsdelay(d1);
if (satmode[A] == 'y')
{
obspower(satpwr);
rgpulse(satdly,v5,rof1,rof1);
obspower(tpwr);
}
status(B);
rgpulse(pw, v2, rof1, 1.0e-6);
if (satmode[B] =='y')
{
if (d2 > 0.0)
{
obspower(satpwr);
rgpulse(d2 - (2*POWER_DELAY) - rof1 - 11.0e-6 - (4.0*pw/3.14159),zero,5.0e-6,5.0e-6);
obspower(tpwr);
}
}
else
{
if (d2 > 0.0)
delay(d2 - 1.0e-6 - rof1 - (4.0*pw/3.14159));
}
rgpulse(pw, v1, rof1, 1.0e-6);
if (satmode[B] == 'y')
{
hsdelay(hst);
obspower(satpwr);
rgpulse(mix-hst,zero,2.0e-6,rof1);
obspower(tpwr);
}
else
hsdelay(mix);
rgpulse(pw, v3, rof1, rof2);
status(C);
/* Phase cycle: ...satdly(v5)...pw(v2)..d2..pw(v1)..mix...pw(v3)..at(oph)
(for phase=1. for phase = 2 incr(v2) and incr(v5) )
v2 =[02] for axial peaks
v1 =[02]16 for axial peaks
v3 =[0123]2 "4 step phase cycle selection"
v10 =[01]8 for quad image
oph = v1+v2+v3+v10
v5: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
v2: 0 2 0 2 0 2 0 2 0 2 0 2 0 2 0 2 1 3 1 3 1 3 1 3 1 3 1 3 1 3 1 3
v1: 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3
v3: 0 0 1 1 2 2 3 3 0 0 1 1 2 2 3 3 1 1 2 2 3 3 0 0 1 1 2 2 3 3 0 0
oph:0 2 1 3 2 0 3 1 2 0 3 1 0 2 1 3 1 3 2 0 3 1 0 2 3 1 0 2 1 3 2 0 */
}
pulsesequence()
{
int i,
relay;
double tau;
/* GET NEW PARAMETERS */
relay = (int) (getval("relay") + 0.5);
tau = getval("tau");
/* CHECK CONDITIONS */
if (p1 == 0.0)
p1 = pw;
/* CALCULATE PHASES */
sub(ct, ssctr, v11); /* v11 = ct-ss */
initval(256.0, v12);
add(v11, v12, v11); /* v11 = ct-ss+256 */
hlv(v11, v1); /* v1 = cyclops = 00112233 */
for (i = 0; i < relay + 1; i++)
hlv(v1, v1); /* cyclops = 2**(relay+2) 0's, 1's, 2's,
3's */
mod4(v11, v2); /* v2 = 0123 0123... */
dbl(v2, oph); /* oph = 0202 0202 */
add(v2, v1, v2); /* v2 = 0123 0123 + cyclops */
add(oph, v1, oph); /* oph = 0202 0202 + cyclops */
hlv(v11, v3); /* v3 = 0011 2233 4455 ... */
/* PULSE SEQUENCE */
status(A);
if (rof1 == 0.0)
{
rof1 = 1.0e-6; /* phase switching time */
rcvroff();
}
hsdelay(d1); /* preparation period */
status(B);
rgpulse(pw, v1, rof1, rof1);
delay(d2); /* evolution period */
status(A);
if (relay == 0)
delay(tau); /* for delayed cosy */
rgpulse(p1, v2, rof1, rof1); /* start of mixing period */
if (relay == 0)
delay(tau); /* for delayed cosy */
for (i = 0; i < relay; i++) /* relay coherence */
{
hlv(v3, v3); /* v3=2**(relay+1) 0's, 1's, 2's, 3's */
dbl(v3, v4); /* v4=2**(relay+1) 0's, 2's, 0's, 2's */
add(v2, v4, v5); /* v5=v4+v2 (including cyclops) */
delay(tau/2);
rgpulse(2.0*pw, v2, rof1, rof1);
delay(tau/2);
rgpulse(pw, v5, rof1, rof1);
}
status(C);
delay(rof2);
rcvron();
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* deuterium decoupling sequence */
spcosed[MAXSTR], /* waveform Co seduce 180 */
spcareb[MAXSTR], /* waveform Ca reburp 180 */
spca180[MAXSTR], /* waveform Ca hard 180 */
sel_flg[MAXSTR],
shp_sl[MAXSTR],
cacb_dec[MAXSTR],
cacbdecseq[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for ca nucleus @ d_c90 */
pwca180, /* PW180 for ca nucleus @ d_c180 */
pwca180dec, /* pwca180+pad */
pwcareb, /* pw180 at d_creb ~ 1.6 ms at 600 MHz */
pwcosed, /* PW180 at d_csed ~ 200us at 600 MHz */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90=sqrt(15)/4delta
delta is the separation between Ca and Co */
d_c180, /* power level for pwca180(sqrt(3)/2delta) */
d_creb, /* power level for pwcareb */
d_csed, /* power level for pwcosed */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pw_sl, /* selective pulse on water */
tpwrsl, /* power for pw_sl */
at,
sphase, /* small angle phase shift */
sphase1,
phase_sl,
d_cacbdec,
pwcacbdec,
dres_dec,
pwD, /* PW90 for higher power (pwDlvl) deut 90 */
pwDlvl, /* high power for deut 90 hard pulse */
compC, /* C-13 RF calibration parameters */
pwC,
pwClvl,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("cacb_dec",cacb_dec);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
pw_sl = getval("pw_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
sphase1 = getval("sphase1");
phase_sl = getval("phase_sl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
if(autocal[0]=='n')
{
getstr("spcosed",spcosed);
getstr("spcareb",spcareb);
getstr("spca180",spca180);
getstr("cacbdecseq",cacbdecseq);
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
d_creb = getval("d_creb");
d_csed = getval("d_csed");
pwc90 = getval("pwc90");
pwca180 = getval("pwca180");
pwca180dec = getval("pwca180dec");
pwcareb = getval("pwcareb");
pwcosed = getval("pwcosed");
d_cacbdec = getval("d_cacbdec");
pwcacbdec = getval("pwcacbdec");
dres_dec = getval("dres_dec");
}
else
{
strcpy(spcosed,"Phard_118p");
strcpy(spcareb,"Preburp_-15p");
strcpy(spca180,"Phard_-118p");
strcpy(cacbdecseq,"Pcb_dec");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
co180 = pbox(spcosed, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(spcareb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
cbdec = pbox(cacbdecseq, CBDEC,CBDECps, dfrq, compC*pwC, pwClvl);
c90 = pbox("Phard90", C90, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_c90 = c90.pwr;
d_c180 = ca180.pwr;
d_creb = creb.pwr;
d_csed = co180.pwr;
pwc90 = c90.pw;
pwca180 = ca180.pw;
pwca180dec = ca180.pw;
pwcareb = creb.pw;
pwcosed = co180.pw;
d_cacbdec = cbdec.pwr;
pwcacbdec = 1.0/cbdec.dmf;
dres_dec = cbdec.dres;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,2,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ix==1)
printf("Uses shared AT in the N dimension. Choose ni2 as desired\n");
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > -16 )
{
printf("DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3
|| gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3
|| gt7 > 3e-3 || gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3)
{
printf("gti values must be < 3e-3\n");
psg_abort(1);
}
if(tpwrsl > 30) {
printf("tpwrsl must be less than 25\n");
psg_abort(1);
}
if( pwDlvl > 59) {
printf("pwDlvl too high\n");
psg_abort(1);
}
if( dpwr3 > 50) {
printf("dpwr3 too high\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
printf("too long pw_sl\n");
psg_abort(1);
}
if(d_cacbdec > 40) {
printf("d_cacbdec is too high; < 41\n");
psg_abort(1);
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
printf("nietl_flg and sel_flg cannot both be y\n");
psg_abort(1);
}
if (fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow C' evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t2,1,4);
if (phase2 == 2) {
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Set up f1180 tau2 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1)
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
}
if(f1180[A] == 'n')
tau1 = ( tau1
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 0.2e-6;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t3,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_c180); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
decoffset(dof);
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three);
dec2phase(zero);
decphase(zero);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
decpower(d_c180);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(tauc);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
decpower(d_c180);
initval(1.0,v5);
dec2stepsize(45.0);
dcplr2phase(v5);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay(tauc - 1.34e-3 - 2.0*pw);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
/* END sel_flg */
decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
/* Cay to CaxC'z */
dec2phase(zero);
txphase(zero);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
delay(taud -POWER_DELAY -4.0e-6 -WFG_START_DELAY);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
else
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof+(174-56)*dfrq); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4,gt4);
delay(100.0e-6);
/* t1 period for C' chemical shift evolution; Ca 180 and N 180 are used
to decouple */
decrgpulse(pwc90,t2,2.0e-6,0.0);
if (fc180[A]=='n')
{
decpower(d_c180);
delay(tau1);
decshaped_pulse(spca180,pwca180dec,zero,4.0e-6,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau1);
decpower(d_c90);
}
else
decrgpulse(2*pwc90,zero,0.0,0.0);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof); /* set carrier to Ca */
delay(2.0e-7);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
/* Refocusing CayC'z to Cax */
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
delay(taud - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
else
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decpower(d_c180);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl10,gt10);
delay(100.0e-6);
/* Constant t2 period */
if (bigTN - tau2 >= 0.2e-6)
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2phase(t4);
delay(bigTN - tau2 + pwca180);
dec2rgpulse(2*pwN,t4,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(t5);
decpower(d_csed);
delay(bigTN - gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
else
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2rgpulse(2.0*pwN,t4,2.0e-6,2.0e-6);
dec2phase(t5);
delay(tau2 - bigTN);
decrgpulse(pwca180,zero,0.0,0.0);
decpower(d_csed);
delay(bigTN - pwca180 - POWER_DELAY
- gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
if (nietl_flg[A] == 'n')
{
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,4.0e-6,0.0);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pw_sl
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
}
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2, gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
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 */
codecseq[MAXSTR]; /* sequence for 13C' decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
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"),
del3 = getval("del3"),
del4 = getval("del4"),
TC = getval("TC"),
satpwr = getval("satpwr"),
waltzB1 = getval("waltzB1"),
spinlock = getval("spinlock"),
pwco,copwr, cores,codmf,
kappa,
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-2 at rfd */
rfd, /* fine power for 7 kHz rf for 500MHz magnet */
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 */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /*rf for WALTZ decoupling */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/
gstab = getval("gstab"),
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("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("codecseq",codecseq);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,1,phi2);
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t11,2,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;
/* dipsi-3 decoupling 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);
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(pw));
tpwrd = (int) (tpwrd + 0.5);
/* activate auto-calibration flags */
setautocal();
if (autocal[0] == 'n')
{
codmf= getval("codmf");
pwco = 1.0/codmf; /* pw for 13C' decoupling field */
copwr = getval("copwr"); /* power level for 13C' decoupling */
cores = getval("cores"); /* power level for 13C' decoupling */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(codecseq,"Pdec_154p");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw=20.0*ppm; ofs=154*ppm;
Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl);
bw=30*ppm; ofs=0.0*ppm; nst = 1000; pws = 0.001;
me180 = pbox_makeA("me180", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
}
copwr = Pdec_154p.pwr; pwco = 1.0/Pdec_154p.dmf;
cores = Pdec_154p.dres;
pwme180 = me180.pw; me180pwr= me180.pwr; me180pwrf = me180.pwrf;
}
/* 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(t2,2,4); icosel1 = -1;}
if (phase2 == 2)
{ tsadd(t4,2,4); icosel2 = -1; tsadd(t2,2,4);}
/* 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(t1,2,4); tsadd(t11,2,4); }
if(ni > 1)
kappa = (double)(t1_counter*(del2)) / ( (double) (ni-1) );
else kappa = 0.0;
/* BEGIN PULSE SEQUENCE */
status(A);
decoffset(dof-140*dfrq);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
if (satmode[A] == 'y')
{
obspower(satpwr);
txphase(zero);
rgpulse(d1,zero,20.0e-6,20.0e-6);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(gstab);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(1.1*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, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(one);
decphase(t1);
delay(0.5*del - gt3);
rgpulse(pw,one,0.0,0.0);
zgradpulse(1.8*gzlvl3, gt3);
txphase(zero);
delay(150e-6);
decrgpulse(pwC, t1, 0.0, 0.0);
/* decoupling on for carbonyl carbon */
decpwrf(4095.0);
decpower(copwr);
decprgon(codecseq,pwco,cores);
decon();
/* decoupling on for carbonyl carbon */
delay(tau1);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(icosel1*gzlvl4, gt1);
delay(0.5*del2 - 2.0*pwN - gt1 - 2.0*pw);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1 - (kappa*tau1));
/* co-decoupling off */
decoff();
decprgoff();
/* co-decoupling off */
decpower(pwClvl);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
/* decoupling on for carbonyl carbon */
decpwrf(4095.0);
decpower(copwr);
decprgon(codecseq,pwco,cores);
decon();
/* decoupling on for carbonyl carbon */
delay(0.5*del2 - kappa*tau1);
/* co-decoupling off */
decoff();
decprgoff();
/* co-decoupling off */
decpower(pwClvl);
decphase(t2);
decrgpulse(pwC, t2, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
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();
txphase(one);
decpwrf(rf0);
decphase(t3);
obspower(tpwrd);
decrgpulse(pwC,t3,0.0,0.0);
decoffset(dof - 155*dfrq);
rgpulse(pwHd,one,0.0,2.0e-6);
txphase(zero);
obsunblank();
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
delay(TC - OFFSET_DELAY - POWER_DELAY - PRG_START_DELAY - tau2);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(TC + tau2 - POWER_DELAY - PRG_STOP_DELAY - 2*gt1 - gstab - 2.0*pw);
xmtroff();
obsprgoff();
obsblank();
rgpulse(pwHd,three,2.0e-6,0.0);
obspower(tpwr);
if (mag_flg[A] =='y')
magradpulse(gzcal*icosel2*gzlvl2, gt1);
else
zgradpulse(icosel2*gzlvl2, gt1);
delay(gstab/2.0);
rgpulse(2.0*pw,zero,0.0,0.0);
if (mag_flg[A] =='y')
magradpulse(gzcal*icosel2*gzlvl2, gt1);
else
zgradpulse(icosel2*gzlvl2, gt1);
delay(gstab/2.0);
decphase(zero);
simpulse(0.0,pwC, two, zero, 0.0, 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(t4);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t4, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del4 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del4 - gt5);
simpulse(pw,pwC,zero,zero,0.0,0.0);
zgradpulse(2.3*gzlvl6, gt1);
if (autocal[A] == 'y')
{
decpower(me180pwr); decpwrf(me180pwrf);
delay(0.5*del3 - gt1 - 0.0005 -2.0*POWER_DELAY- WFG2_START_DELAY);
simshaped_pulse("","me180",2.0*pw,0.001, zero, zero, 0.0, 0.0);
decpwrf(rf0);
decphase(zero);
}
else
{
delay(0.5*del3 - 0.5*pwC - gt1);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
}
decpower(dpwr);
if (mag_flg[A] == 'y')
magradpulse(gzcal*((2.3*gzlvl6)+gzlvl1), gt1);
else
zgradpulse(((2.3*gzlvl6)+gzlvl1), gt1);
if (autocal[A] == 'y')
{
if(dm3[B] == 'y')
delay(0.5*del3 - 0.0005 -gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - 2.0*POWER_DELAY);
else
delay(0.5*del3 - 0.0005 -gt1 - 2.0*GRADIENT_DELAY - 2.0*POWER_DELAY);
}
else
{
if(dm3[B] == 'y')
delay(0.5*del3 - gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - POWER_DELAY);
else
delay(0.5*del3 - gt1 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
if (dm3[B]=='y') lk_sample();
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* To check for TROSY flag */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double p_d,
rfd,
ncyc,
COmix = getval("COmix"),
p_trim,
rftrim,
tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "biocal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a, /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */
pwC6, /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8, /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration */
if (autocal[0] == 'n')
{
/* offC3 - 180 degree pulse on Ca, null at CO 118ppm away */
pwC3a = getval("pwC3a");
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC6 = getval("pwC6");
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC8 = getval("pwC8");
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
}
else /* if autocal = 'y'(yes), 'q'(quiet), 'r'(read) or 's'(semi) */
{
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = -bw;
offC3 = pbox_make("offC3", "square180n", bw, ofs, compC*pwC, pwClvl);
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC3a = offC3.pw; rf3 = offC3.pwrf; /* set up parameters */
pwC6 = offC6.pw; rf6 = offC6.pwrf;
pwC8 = offC8.pw; rf8 = offC8.pwrf;
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
tpwrd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
if (tpwrsf < 4095.0) tpwrs = tpwrs + 6.0;
/* the pwC3 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC3 = pwC3a;
if ( pwC3 > 0 ) phshift3 = 48.0;
else phshift3 = 0.0;
/* dipsi-3 decoupling on COCO */
p_trim = 1/(4*5000*(sfrq/600.0)); /* 5 kHz trim pulse at 600MHz as per Bax */
p_d = (5.0)/(9.0*4.0*2800.0*(sfrq/600.0)); /* 2.8 kHz DIPSI-3 at 600MHz as per Bax*/
rftrim = (compC*4095.0*pwC)/p_trim;
rftrim = (int)(rftrim+0.5);
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = ((COmix - 0.002)/51.8/4/p_d);
ncyc = (int) (ncyc + 0.5);
initval(ncyc,v9);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (ni>1 || ni2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A] == 'y')
{ printf(" TROSY option is not implemented"); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (phase2 == 2)
{tsadd(t10,2,4); icosel = +1;}
else
icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(zero);
obspower(tpwrs);
if (tpwrsf<4095.0) obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd);
if (tpwrsf<4095.0) obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
/***************************************************************/
/* The sequence is different from here with respect to ghn_co **/
/***************************************************************/
rgpulse(pwHd,one,2.0e-6,0.0); /* H1 decoupler is turned on */
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* Refocus CO, evolve CO, spinlock CO and defocus CO */
delay(timeTN - tau1/2 - 0.6*pwC6 - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("", "offC8","",0.0,pwC8, 2.0*pwN, zero,zero,zero,0.0,0.0);
decpwrf(rf3);
delay(timeTN - WFG3_STOP_DELAY - WFG_START_DELAY - pwC3a/2);
decshaped_pulse("offC3",pwC3a,zero,0.0,0.0);
if (tau1 > 0)
delay(tau1/2 - WFG_STOP_DELAY - pwC3a/2 - 2.0e-6);
else
delay(tau1/2);
/*******DO SPINLOCK ********/
decpwrf(rftrim);
decrgpulse(0.002,zero,2.0e-6,0.0);
decpwrf(rfd);
starthardloop(v9);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
endhardloop();
decpwrf(4095.0);
/* End of spinlock */
delay(timeTN - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("","offC8","",0.0,pwC8,2*pwN,zero,zero,zero,0.0,0.0);
decpwrf(rf6);
delay(timeTN - WFG3_STOP_DELAY);
/***************************************************************/
/* The sequence is same as ghn_co from this point ********/
/***************************************************************/
decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
txphase(one);
dcplrphase(zero);
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf8);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf3);
if (tau2 > kappa)
{
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.65*pwN - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char
SE[MAXSTR], /* coherence gradients & sensitivity enhance */
CT[MAXSTR], /* constant time in t1 */
CCdseq[MAXSTR],
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
C13refoc[MAXSTR], /* C13 pulse in middle of t1*/
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int icosel,
ni2 = getval("ni2"),
t1_counter,
t2_counter;
double tau1, /* t1 delay */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
CTdelay = getval("CTdelay"), /* total constant time evolution */
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
pwZa, /* the largest of 2.0*pw and 2.0
*pwN */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
ncyc_cc = getval("ncyc_cc"), /* number of DIPSI3 cycles for CC spinlock */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_12, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_80, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_92p5, /* dof shifted to 92.5ppm */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC */
p_d2, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine C13 power for 10 kHz rf for 500MHz magnet */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gstab = getval("gstab"),
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("SE",SE);
getstr("CT",CT);
getstr("CChomodec",CChomodec);
getstr("CCdseq",CCdseq);
getstr("C13refoc",C13refoc);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t9,1,phi9);
settable(t10,1,phi10);
settable(t5,4,phi5);
settable(t11,8,rec1);
/* INITIALIZE VARIABLES */
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_12 = tof + 8.0*sfrq; /* tof shifted to nH */
dof_92p5 = dof - 17.5*dfrq; /* dof shifted to C1' */
dof_80 = dof - 30*dfrq; /* dof shifted to C6 */
/* 1.9 kHz DIPSI-3 at 500MHz scaled to this sfrq*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0));
/* 7 kHz DIPSI-3 at 500MHz scaled to this sfrq*/
p_d2 = (5.0)/(9.0*4.0*7000.0*(sfrq/500.0));
ncyc_cc = (int) (ncyc_cc + 0.5);
if (ncyc_cc > 0 )
{
printf("CC-mixing time is %f ms.\n",(ncyc_cc*51.8*4*p_d2));
}
if( ncyc_cc > 12 )
{
text_error("check C->C dipsi-3 time !! ");
psg_abort(1);
}
initval(ncyc_cc,v2);
/* fine C13 power for dipsi-3 isotropic mixing */
rfd = (compC*4095.0*pwC*5.0)/(p_d2*9.0);
rfd = (int) (rfd + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
if (2.0*pw > 2.0*pwN) pwZa = 2.0*pw;
else pwZa = 2.0*pwN;
if ((CT[A]=='y') && (ni2/(4.0*sw2) > CTdelay))
{ text_error( " ni2 is too big. Make ni2 equal to %d or less.\n",
((int)(CTdelay*sw2*4.0)) ); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t5,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
icosel=1;
if (SE[A]=='y')
{
if (phase2 == 2)
{
tsadd(t10,2,4);
icosel = -1;
}
}
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* CHECK VALIDITY OF PARAMETER RANGE */
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
obsstepsize(0.5);
decpower(pwClvl);
decstepsize(0.5);
obsoffset(tof);
dec2power(pwNlvl);
dec2stepsize(0.5);
decoffset(dof_80); /* Preset the carbon frequency for the C1' carbons */
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
delay(lambda);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, 0.0);
dec2phase(t5);
delay(lambda - SAPS_DELAY);
simpulse(pw, pwC, zero, t5, 0.0, 0.0); /* 2x, -2x*/
dec2phase(zero);
txphase(one);
zgradpulse(gzlvl5,gt5);
delay(lambda - SAPS_DELAY - gt5);
simpulse(2*pw, 2*pwC, one, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - 2*SAPS_DELAY - gt5 - 2*POWER_DELAY);
decpwrf(4095.0);
txphase(zero);
decphase(zero);
if (C13refoc[A]=='y')
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magn. to z */
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magn. to z */
decphase(zero);
decpwrf(rfd);
starthardloop(v2);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
endhardloop();
decphase(t3);
decpwrf(4095.0);
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to z */
decoffset(dof_92p5); /* Preset the carbon frequency for the C1' carbon */
decrgpulse(pwC,t3,0.0,0.0); /* 4x,-4x flip transferred 13C-magnetization to x */
if (SE[A]=='y')
{
/***************** CONSTANT TIME EVOLUTION *****************/
if (CT[A]=='y') {
/***************/
initval(90.0, v9);
decstepsize(1.0);
dcplrphase(v9);
decphase(t9);
delay(CTdelay/2.0 - tau2);
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
dcplrphase(zero);
decphase(t10);
if (tau2 < gt1 + gstab)
{delay(CTdelay/2.0 - pwZa - gt1 - gstab);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2);}
else {delay(CTdelay/2.0 - pwZa);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2 - gt1 - gstab);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab - 2.0*GRADIENT_DELAY);}
/***************/
}
/********************************************************************/
/***************** NORMAL EVOLUTION *****************/
else {
/***************/
if (CChomodec[A]=='y')
{
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
}
decphase(zero);
delay(tau2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decphase(t9);
delay(gt1 + gstab - pwZa);
delay(tau2);
if (CChomodec[A]=='y')
{
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwClvl);
}
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
zgradpulse(icosel*gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
decphase(t10);
delay(gstab - 2.0*GRADIENT_DELAY);
/***************/
}
/********************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
decrgpulse(pwC, zero, 0.0, 0.0);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(lambda - 0.5*pwC - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(two);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.5*pwC - gt5);
simpulse(pw, pwC, two, zero, 0.0, 0.0);
txphase(zero);
delay(lambda - 0.5*pwC);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
dcplrphase(zero); /* SAPS_DELAY */
zgradpulse(gzlvl2, gt1/4.0); /* 2.0*GRADIENT_DELAY */
delay(lambda - gt1/4.0 - 0.5*pwC - 2.0*GRADIENT_DELAY - 2*POWER_DELAY - SAPS_DELAY);
}
else
{
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
zgradpulse(gzlvl4,gt4);
delay(gstab - 2*SAPS_DELAY - 2*POWER_DELAY - GRADIENT_DELAY);
rgpulse((lambda-gstab-gt4-pwC), two, 0.0, 0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
simpulse(2*pwC,2*pwC,two,zero,0.0,0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
rgpulse((pwHs2-2*pwC-(lambda-gstab-gt4-pwC)), two, 0.0, 0.0);
txphase(zero);
obspower(tpwr);
rgpulse(2*pw, zero, 0.0, 0.0);
obspower(tpwrs2);
rgpulse(pwHs2, two, 4.0e-6, 0.0);
decphase(t4);
zgradpulse(gzlvl4,gt4);
delay(gstab-2*pwC-2*SAPS_DELAY - POWER_DELAY - GRADIENT_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
setreceiver(t11);
}
pulsesequence()
{
double pwx2lvl,
pwx2,
gzlvl1,
gt1,
gzlvl3,
gt3,
gstab,
hsglvl,
hsgt,
tau,
j1xh,
phase;
int iphase,
icosel;
char sspul[MAXSTR],
nullflg[MAXSTR];
pwx2lvl = getval("pwx2lvl");
pwx2 = getval("pwx2");
hsglvl = getval("hsglvl");
hsgt = getval("hsgt");
gzlvl1 = getval("gzlvl1");
gzlvl3 = getval("gzlvl3");
gt1 = getval("gt1");
gt3 = getval("gt3");
gstab = getval("gstab");
getstr("nullflg",nullflg);
j1xh = getval("j1xh");
tau = 1/(4*j1xh);
phase = getval("phase");
getstr("sspul",sspul);
iphase = (int) (phase + 0.5);
icosel = 1;
settable(t1,4,ph1);
settable(t2,2,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
settable(t5,16,ph5);
getelem(t2,ct,v2);
getelem(t5,ct,oph);
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if (iphase == 2)
icosel = -1;
add(v2,v14,v2);
add(oph,v14,oph);
status(A);
dec2power(pwx2lvl);
obspower(tpwr);
if (sspul[0] == 'y')
{
zgradpulse(hsglvl,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(hsglvl,hsgt);
}
delay(d1);
status(B);
if (nullflg[0] == 'y')
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
rcvroff();
rgpulse(pw,zero,rof1,rof1);
delay(tau);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1,rof1);
delay(tau);
rgpulse(pw,t1,rof1,rof1);
zgradpulse(hsglvl,2*hsgt);
delay(1e-3);
dec2rgpulse(pwx2,v2,rof1,2.0e-6);
if (d2/2 > 0.0)
delay(d2/2 - (2*pwx2/PI) - pw - 4.0e-6);
else
delay(d2/2);
rgpulse(2*pw,zero,2.0e-6,2.0e-6);
if (d2/2 > 0.0)
delay(d2/2 - pw - 2.0e-6);
else
delay(d2/2);
delay(gt1+gstab + GRADIENT_DELAY + (2*pwx2/PI) + 2.0e-6);
dec2rgpulse(2*pwx2,zero,rof1,rof1);
zgradpulse(gzlvl1,gt1);
delay(gstab);
dec2rgpulse(pwx2,t4,2.0e-6,rof1);
zgradpulse(-hsglvl,hsgt);
delay(1e-3);
rgpulse(pw,t3,rof1,rof1);
delay(tau - (2*pw/PI) - 2*rof1);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1, rof2);
dec2power(dpwr2);
zgradpulse(icosel*gzlvl3,gt3);
delay(tau - gt3 - GRADIENT_DELAY - POWER_DELAY);
status(C);
}
pulsesequence() {
// Define Variables and Objects and Get Parameter Values
CP hx = getcp("HX",0.0,0.0,0,1);
strncpy(hx.fr,"dec",3);
strncpy(hx.to,"obs",3);
putCmd("frHX='dec'\n");
putCmd("toHX='obs'\n");
MPSEQ c7 = getpostc7("c7X",0,0.0,0.0,0,1);
MPSEQ c7ref = getpostc7("c7X",c7.iSuper,c7.phAccum,c7.phInt,1,1);
strncpy(c7.ch,"obs",3);
putCmd("chXc7='obs'\n");
DSEQ dec = getdseq("H");
strncpy(dec.t.ch,"dec",3);
putCmd("chHtppm='dec'\n");
strncpy(dec.s.ch,"dec",3);
putCmd("chHspinal='dec'\n");
// Set Constant-time Period for d2.
if (d2_index == 0) d2_init = getval("d2");
double d2_ = (ni - 1)/sw1 + d2_init;
putCmd("d2acqret = %f\n",roundoff(d2_,12.5e-9));
putCmd("d2dwret = %f\n",roundoff(1.0/sw1,12.5e-9));
//--------------------------------------
// Copy Current Parameters to Processed
//-------------------------------------
putCmd("groupcopy('current','processed','acquisition')");
// Dutycycle Protection
DUTY d = init_dutycycle();
d.dutyon = getval("pwH90") + getval("tHX") + 2.0* getval("pwX90") + c7.t + c7ref.t;
d.dutyoff = d1 + 4.0e-6 + 2.0*getval("tZF");
d.c1 = d.c1 + (!strcmp(dec.seq,"tppm"));
d.c1 = d.c1 + ((!strcmp(dec.seq,"tppm")) && (dec.t.a > 0.0));
d.t1 = d2_ + getval("rd") + getval("ad") + at;
d.c2 = d.c2 + (!strcmp(dec.seq,"spinal"));
d.c2 = d.c2 + ((!strcmp(dec.seq,"spinal")) && (dec.s.a > 0.0));
d.t2 = d2_ + getval("rd") + getval("ad") + at;
d = update_dutycycle(d);
abort_dutycycle(d,10.0);
// Set Phase Tables
settable(phH90,4,table1);
settable(phXhx,4,table2);
settable(phHhx,4,table3);
settable(phXmix1,4,table4);
settable(phXmix2,4,table5);
settable(phRec,4,table6);
// Add STATES-TPPI (STATES + "FAD")
double obsstep = 360.0/(PSD*8192);
if (phase1 == 2)
initval((45.0/obsstep),v1);
else
initval(0.0,v1);
initval((d2*c7.of[0]*360.0/obsstep),v2);
obsstepsize(obsstep);
setreceiver(phRec);
// Begin Sequence
txphase(phXhx); decphase(phH90);
obspwrf(getval("aXhx")); decpwrf(getval("aH90"));
obsunblank(); decunblank(); _unblank34();
delay(d1);
sp1on(); delay(2.0e-6); sp1off(); delay(2.0e-6);
// H to X Cross Polarization
decrgpulse(getval("pwH90"),phH90,0.0,0.0);
decphase(phHhx);
_cp_(hx,phHhx,phXhx);
obspwrf(getval("aX90"));
// Mixing with C7 Recoupling-Period One
rgpulse(getval("pwX90"),phXmix1,0.0,0.0);
obspwrf(getval("aXc7"));
decoff();
xmtrphase(v1); txphase(phXmix1);
delay(getval("tZF"));
decpwrf(getval("aHmix"));
decunblank();
decon();
_mpseq(c7, phXmix1);
decoff();
// F1 Indirect Period For X
xmtrphase(v2); txphase(phXmix2);
_dseqon(dec);
delay(d2);
_dseqoff(dec);
// Mixing with C7 Recoupling-Period Two
decpwrf(getval("aHmix"));
decunblank();
decon();
_mpseq(c7ref, phXmix2);
decoff();
obspwrf(getval("aX90"));
xmtrphase(zero); txphase(phXmix2);
delay(getval("tZF"));
rgpulse(getval("pwX90"),phXmix2,0.0,0.0);
// Begin Acquisition
_dseqon(dec);
obsblank(); _blank34();
delay(getval("rd"));
startacq(getval("ad"));
acquire(np, 1/sw);
endacq();
_dseqoff(dec);
obsunblank(); decunblank(); _unblank34();
}
pulsesequence() {
/* Acquisition variables */
double dw; /* nominal dwell time, = 1/sw */
double aqtm = getval("aqtm");
/* Delay variables */
double tref,
te_delay1, te_delay2, tr_delay, ti_delay,
del1, del2, del3, del4, del5, /* before and after diffusion gradients */
busy1, busy2, /* time spent on rf pulses etc. in TE periods */
seqtime, invTime;
int use_minte;
/* RF and receiver frequency variables */
double freq90[MAXNSLICE],freq180[MAXNSLICE],freqIR[MAXNSLICE]; /* frequencies for multi-slice */
int shape90=0, shape180=0, shapeIR=0; /* List ID for RF shapes */
double roff1, roff2, roffn; /* Receiver offsets when FOV is offset along readout */
/* Gradient amplitudes, may vary depending on "image" parameter */
double peramp, perinc, peamp, roamp, roramp;
/* diffusion variables */
#define MAXDIR 1024 /* Will anybody do more than 1024 directions or b-values? */
int diff_in_one = 0;
double tmp, tmp_ss2;
double roarr[MAXDIR], pearr[MAXDIR], slarr[MAXDIR];
int nbval, /* Total number of bvalues*directions */
nbro, nbpe, nbsl; /* bvalues*directions along RO, PE, and SL */
double bro[MAXDIR], bpe[MAXDIR], bsl[MAXDIR], /* b-values along RO, PE, SL */
brs[MAXDIR], brp[MAXDIR], bsp[MAXDIR], /* the cross-terms */
btrace[MAXDIR], /* and the trace */
max_bval=0,
dcrush, dgss2, /* "delta" for crusher and gss2 gradients */
Dro, Dcrush, Dgss2; /* "DELTA" for readout, crusher and gss2 gradients */
/* loop variable */
int i;
/* Real-time variables used in this sequence **************/
int vms_slices = v3; // Number of slices
int vms_ctr = v4; // Slice loop counter
int vnseg = v5; // Number of segments
int vnseg_ctr = v6; // Segment loop counter
int vetl = v7; // Number of choes in readout train
int vetl_ctr = v8; // etl loop counter
int vblip = v9; // Sign on blips in multi-shot experiment
int vssepi = v10; // Number of Gradient Steady States lobes
int vssepi_ctr = v11; // Steady State counter
int vacquire = v12; // Argument for setacqvar, to skip steady states
/******************************************************/
/* VARIABLE INITIALIZATIONS ***************************/
/******************************************************/
get_parameters();
euler_test();
if (tep < 0) { // adjust by reducing gpropdelay by that amount
gpropdelay += tep;
tep = 0;
}
setacqmode(WACQ|NZ); // Necessary for variable rate sampling
use_minte = (minte[0] == 'y');
/******************************************************/
/* CALCULATIONS ***************************************/
/******************************************************/
if (ix == 1) {
/* Calculate RF pulse */
init_rf(&p1_rf,p1pat,p1,flip1,rof1,rof2);
calc_rf(&p1_rf,"tpwr1","tpwr1f");
/* Calculate gradients: */
init_slice(&ss_grad,"ss",thk);
calc_slice(&ss_grad, &p1_rf,WRITE,"gss");
init_slice_refocus(&ssr_grad,"ssr");
calc_slice_refocus(&ssr_grad, &ss_grad, WRITE,"gssr");
if (spinecho[0] == 'y') {
init_rf(&p2_rf,p2pat,p2,flip2,rof1,rof1);
calc_rf(&p2_rf,"tpwr2","tpwr2f");
init_slice_butterfly(&ss2_grad,"ss2",thk,gcrush,tcrush);
calc_slice(&ss2_grad,&p2_rf,WRITE,"gss2");
}
else ss2_grad.duration = 0; /* used for diffusion calculations */
init_readout(&epiro_grad,"epiro",lro,np,sw);
init_readout_refocus(&ror_grad,"ror");
init_phase(&epipe_grad, "epipe",lpe,nv);
init_phase(&per_grad,"per",lpe,nv);
init_readout(&nav_grad,"nav",lro,np,sw);
init_epi(&epi_grad);
if (!strcmp(orient,"oblique")) {
if ((phi != 90) || (psi != 90) || (theta != 90)) {
/* oblique slice - this should take care of most cases */
epiro_grad.slewRate /= 3; /* = gmax/trise */
epipe_grad.slewRate /= 3;
}
}
calc_epi(&epi_grad,&epiro_grad,&epipe_grad,&ror_grad,&per_grad,&nav_grad,NOWRITE);
/* Make sure the slice refocus, readout refocus,
and phase dephaser fit in the same duration */
tref = calc_sim_gradient(&ror_grad, &per_grad, &null_grad, getval("tpe"), WRITE);
if (sgldisplay) displayEPI(&epi_grad);
/* calc_sim_gradient recalculates per_grad, so reset its
base amplitude for centric ordering or fractional k-space*/
switch(ky_order[0]) {
case 'l':
per_grad.amp *= (fract_ky/(epipe_grad.steps/2));
break;
case 'c':
per_grad.amp = (nseg/2-1)*per_grad.increment;
break;
}
if (ir[0] == 'y') {
init_rf(&ir_rf,pipat,pi,flipir,rof1,rof1);
calc_rf(&ir_rf,"tpwri","tpwrif");
init_slice_butterfly(&ssi_grad,"ssi",thk,gcrush,tcrush);
calc_slice(&ssi_grad,&ir_rf,WRITE,"gssi");
}
if (fsat[0] == 'y') {
create_fatsat();
}
if (diff[0] == 'y') {
init_generic(&diff_grad,"diff",gdiff,tdelta);
diff_grad.maxGrad = gmax;
calc_generic(&diff_grad,NOWRITE,"","");
/* adjust duration, so tdelta is from start ramp up to start ramp down */
if (ix == 1) {
diff_grad.duration += diff_grad.tramp;
calc_generic(&diff_grad,WRITE,"","");
}
}
/* Acquire top-down or bottom-up ? */
if (ky_order[1] == 'r') {
epipe_grad.amp *= -1;
per_grad.amp *= -1;
per_grad.increment *= -1;
}
} /* end gradient setup if ix == 1 */
/* Load table used to determine multi-shot direction */
settable(t2,(int) nseg,epi_grad.table2);
/* What is happening in the 2 TE/2 periods (except for diffusion)? */
busy1 = ss_grad.rfCenterBack + ssr_grad.duration;
busy2 = tep + nav_grad.duration*(epi_grad.center_echo + 0.5);
if (navigator[0] == 'y')
busy2 += (tep + nav_grad.duration + per_grad.duration);
/* How much extra time do we have in each TE/2 period? */
if (spinecho[0] == 'y') {
busy1 += (GDELAY + ss2_grad.rfCenterFront);
busy2 += ss2_grad.rfCenterBack;
temin = MAX(busy1,busy2)*2;
if (use_minte) te = temin;
te_delay1 = te/2 - busy1;
te_delay2 = te/2 - busy2;
if (temin > te) { /* Use min TE and try and catch further violations of min TE */
te_delay1 = temin/2 - busy1;
te_delay2 = temin/2 - busy2;
}
}
else { /* Gradient echo */
temin = (busy1 + busy2);
if (use_minte) te = temin;
te_delay1 = te - temin;
te_delay2 = 0;
if (temin > te) te_delay1 = 0;
}
/* Now fill in the diffusion delays:
del1 = between 90 and 1st diffusion gradient
del2 = after 1st diffusion gradient
del3 = before 2nd diffusion gradient when both in same TE/2 period
del4 = before 2nd diffusion gradient when in different TE/2 period
del5 = before acquisition
Ie, the order is:
90 - del1 - diff - del2 - (diff - del3) - 180 - (del4 - diff) - del5 - acq
where one and only one of the two options (diff - del3) or (del4 - diff) is used
*/
if (diff[0] == 'y') {
tmp_ss2 = GDELAY + ss2_grad.duration; /* ss2 grad + 4us delay */
del1 = del2 = del3 = del4 = del5 = 0;
if (tDELTA < (diff_grad.duration + tmp_ss2)) /* Minimum DELTA */
abort_message("ERROR %s: tDELTA is too short, minimum is %.2fms\n",
seqfil,(diff_grad.duration + tmp_ss2)*1000+0.005);
if (tDELTA + diff_grad.duration > te_delay1 + tmp_ss2 + te_delay2) {
if (!use_minte) {
abort_message("ERROR %s: Maximum tDELTA is %.2fms",
seqfil,te_delay1 + ss2_grad.duration + te_delay2 - diff_grad.duration);
}
else {
tmp = (tDELTA + diff_grad.duration) - (te_delay1 + tmp_ss2 + te_delay2);
if (spinecho[0] == 'y') {
te_delay1 += (tmp/2);
te_delay2 += (tmp/2);
}
else
te_delay1 += tmp;
temin += tmp;
}
}
if (spinecho[0] == 'y') {
if (te_delay1 >= (tDELTA + diff_grad.duration)) { /* Put them both in 1st TE/2 period, */
diff_in_one = (diff[0] == 'y'); /* no need to increase temin */
del2 = tDELTA - diff_grad.duration; /* time between diffusion gradients */
del3 = te_delay1 - (tDELTA+diff_grad.duration); /* time after diffusion gradients */
del5 = te_delay2; /* delay in second TE/2 period */
}
else { /* put them on each side of the 180 */
diff_in_one = 0;
busy1 += diff_grad.duration;
busy2 += diff_grad.duration;
temin = 2*MAX(busy1,busy2);
/* Optimally, the 2nd diff grad is right after the 180 */
del2 = tDELTA - diff_grad.duration - tmp_ss2; /* This is always > 0, or we would have aborted above */
del1 = te_delay1 - (diff_grad.duration + del2);
if (del1 < 0) {
del1 = 0; /* Place the 1st right after the 90 and push the 2nd out */
del4 = tDELTA - te_delay1 - ss2_grad.duration;
}
del5 = te_delay2 - (del4 + diff_grad.duration);
/* del5 could still be < 0, when te_delay2 < diff_grad.duration */
if (del5 < 0) {
del1 += fabs(del5); /* Increase each TE/2 period by abs(del5) */
del5 = 0;
}
}
}
else { /* gradient echo */
diff_in_one = (diff[0] == 'y');
del1 = 0;
del2 = tDELTA - diff_grad.duration; /* time between diffusion gradients */
del3 = 0;
del4 = 0;
if (!use_minte) /* user defined TE */
del5 = te_delay1 - (tDELTA + diff_grad.duration);
}
} /* End of Diffusion block */
else {
del1 = te_delay1;
del5 = te_delay2;
del2 = del3 = del4 = 0;
}
if (sgldisplay) {
text_message("busy1/2, temin = %f, %f, %f",busy1*1e3, busy2*1e3, temin*1e3);
text_message("te_delay1/2 = %f, %f",te_delay1*1e3, te_delay2*1e3);
text_message("delays 1-5: %.2f, %.2f, %.2f, %.2f, %.2fms\n",del1*1000,del2*1000,del3*1000,del4*1000,del5*1000);
}
/* Check if TE is long enough */
temin = ceil(temin*1e6)/1e6; /* round to nearest us */
if (use_minte) {
te = temin;
putvalue("te",te);
}
else if (temin > te) {
abort_message("TE too short, minimum is %.2f ms\n",temin*1000);
}
if (ir[0] == 'y') {
ti_delay = ti - (pi*ssi_grad.rfFraction + rof2 + ssi_grad.rfDelayBack)
- (ss_grad.rfDelayFront + rof1 + p1*(1-ss_grad.rfFraction));
if (ti_delay < 0) {
abort_message("TI too short, minimum is %.2f ms\n",(ti-ti_delay)*1000);
}
}
else ti_delay = 0;
invTime = GDELAY + ssi_grad.duration + ti_delay;
/* Minimum TR per slice, w/o options */
seqtime = GDELAY + ss_grad.rfCenterFront // Before TE
+ te
+ (epiro_grad.duration - nav_grad.duration*(epi_grad.center_echo+0.5)); // After TE
/* Add in time for options outside of TE */
if (ir[0] == 'y') seqtime += invTime;
if (fsat[0] == 'y') seqtime += fsatTime;
trmin = seqtime + 4e-6; /* ensure a minimum of 4us in tr_delay */
trmin *= ns;
if (tr - trmin < 0.0) {
abort_message("%s: Requested tr too short. Min tr = %.2f ms\n",
seqfil,ceil(trmin*100000)/100.00);
}
/* spread out multi-slice acquisition over total TR */
tr_delay = (tr - ns*seqtime)/ns;
/******************************************************/
/* Return gradient values to VnmrJ interface */
/******************************************************/
putvalue("etl",epi_grad.etl+2*ssepi);
putvalue("gro",epiro_grad.amp);
putvalue("rgro",epiro_grad.tramp);
putvalue("gror",ror_grad.amp);
putvalue("tror",ror_grad.duration);
putvalue("rgror",ror_grad.tramp);
putvalue("gpe",epipe_grad.amp);
putvalue("rgpe",epipe_grad.tramp);
putvalue("gped",per_grad.amp);
putvalue("tped",per_grad.duration);
putvalue("rgped",per_grad.tramp);
putvalue("gss",ss_grad.amp);
putvalue("gss2",ss2_grad.ssamp);
putvalue("rgss",ss_grad.tramp);
putvalue("gssr",ssr_grad.amp);
putvalue("tssr",ssr_grad.duration);
putvalue("rgssr",ssr_grad.tramp);
putvalue("rgss2",ss2_grad.crusher1RampToSsDuration);
putvalue("rgssi",ssi_grad.crusher1RampToSsDuration);
putvalue("rgcrush",ssi_grad.crusher1RampToCrusherDuration);
putvalue("at_full",epi_grad.duration);
putvalue("at_one",nav_grad.duration);
putvalue("rcrush",ss2_grad.crusher1RampToCrusherDuration);
putvalue("np_ramp",epi_grad.np_ramp);
putvalue("np_flat",epi_grad.np_flat);
if (diff[0] == 'y') { /* CALCULATE B VALUES */
/* Get multiplication factors and make sure they have same # elements */
/* All this is only necessary because putCmd only work for ix==1 */
nbro = (int) getarray("dro",roarr); nbval = nbro;
nbpe = (int) getarray("dpe",pearr); if (nbpe > nbval) nbval = nbpe;
nbsl = (int) getarray("dsl",slarr); if (nbsl > nbval) nbval = nbsl;
if ((nbro != nbval) && (nbro != 1))
abort_message("%s: Number of directions/b-values must be the same for all axes (readout)",seqfil);
if ((nbpe != nbval) && (nbpe != 1))
abort_message("%s: Number of directions/b-values must be the same for all axes (phase)",seqfil);
if ((nbsl != nbval) && (nbsl != 1))
abort_message("%s: Number of directions/b-values must be the same for all axes (slice)",seqfil);
if (nbro == 1) for (i = 1; i < nbval; i++) roarr[i] = roarr[0];
if (nbpe == 1) for (i = 1; i < nbval; i++) pearr[i] = pearr[0];
if (nbsl == 1) for (i = 1; i < nbval; i++) slarr[i] = slarr[0];
}
else {
nbval = 1;
roarr[0] = 0;
pearr[0] = 0;
slarr[0] = 0;
}
for (i = 0; i < nbval; i++) {
/* We need to worry about slice gradients & crushers for slice gradients */
/* Everything else is outside diffusion gradients, and thus constant */
/* for all b-values/directions */
/* Readout */
bro[i] = bval(gdiff*roarr[i],tdelta,tDELTA);
/* Phase */
bpe[i] = bval(gdiff*pearr[i],tdelta,tDELTA);
/* Slice */
dgss2 = p2/2; Dgss2 = dgss2;
dcrush = tcrush; Dcrush = dcrush + p2;
bsl[i] = bval(gdiff*slarr[i],tdelta,tDELTA);
if (spinecho[0] == 'y') {
bsl[i] += bval(ss2_grad.ssamp,dgss2,Dgss2);
bsl[i] += bval(gcrush,dcrush,Dcrush);
bsl[i] += bval_nested(gcrush,dcrush,Dcrush,ss2_grad.ssamp,dgss2,Dgss2);
}
if (!diff_in_one) {
bsl[i] += bval_nested(gdiff*slarr[i],tdelta,tDELTA,gcrush,dcrush,Dcrush);
bsl[i] += bval_nested(gdiff*slarr[i],tdelta,tDELTA,ss2_grad.ssamp,dgss2,Dgss2);
}
/* Readout/Slice Cross-terms */
brs[i] = bval2(gdiff*roarr[i],gdiff*slarr[i],tdelta,tDELTA);
if (spinecho[0] == 'y') {
brs[i] += bval_cross(gdiff*roarr[i],tdelta,tDELTA,gcrush,dcrush,Dcrush);
brs[i] += bval_cross(gdiff*roarr[i],tdelta,tDELTA,ss2_grad.ssamp,dgss2,Dgss2);
}
/* Readout/Phase Cross-terms */
brp[i] = bval2(gdiff*roarr[i],gdiff*pearr[i],tdelta,tDELTA);
/* Slice/Phase Cross-terms */
bsp[i] = bval2(gdiff*slarr[i],gdiff*pearr[i],tdelta,tDELTA);
bsp[i] += bval_cross(gdiff*pearr[i],tdelta,tDELTA,gcrush,dcrush,Dcrush);
bsp[i] += bval_cross(gdiff*pearr[i],tdelta,tDELTA,ss2_grad.ssamp,dgss2,Dgss2);
btrace[i] = (bro[i]+bsl[i]+bpe[i]);
if (max_bval < btrace[i]) {
max_bval = (bro[i]+bsl[i]+bpe[i]);
}
} /* End for-all-directions */
putarray("bvalrr",bro,nbval);
putarray("bvalpp",bpe,nbval);
putarray("bvalss",bsl,nbval);
putarray("bvalrp",brp,nbval);
putarray("bvalrs",brs,nbval);
putarray("bvalsp",bsp,nbval);
putarray("bvalue",btrace,nbval);
putvalue("max_bval",max_bval);
/* Set all gradients depending on whether we do */
/* Use separate variables, because we only initialize & calculate gradients for ix==1 */
peamp = epipe_grad.amp;
perinc = per_grad.increment;
peramp = per_grad.amp;
roamp = epiro_grad.amp;
roramp = ror_grad.amp;
switch ((int)image) {
case 1: /* Real image scan, don't change anything */
break;
case 0: /* Normal reference scan */
peamp = 0;
perinc = 0;
peramp = 0;
roamp = epiro_grad.amp;
roramp = ror_grad.amp;
break;
case -1: /* Inverted image scan */
roamp = -epiro_grad.amp;
roramp = -ror_grad.amp;
break;
case -2: /* Inverted reference scan */
peamp = 0;
perinc = 0;
peramp = 0;
roamp = -epiro_grad.amp;
roramp = -ror_grad.amp;
break;
default: break;
}
/* Generate phase-ramped pulses: 90, 180, and IR */
offsetlist(pss,ss_grad.ssamp,0,freq90,ns,seqcon[1]);
shape90 = shapelist(p1pat,ss_grad.rfDuration,freq90,ns,0,seqcon[1]);
if (spinecho[0] == 'y') {
offsetlist(pss,ss2_grad.ssamp,0,freq180,ns,seqcon[1]);
shape180 = shapelist(p2pat,ss2_grad.rfDuration,freq180,ns,0,seqcon[1]);
}
if (ir[0] == 'y') {
offsetlist(pss,ssi_grad.ssamp,0,freqIR,ns,seqcon[1]);
shapeIR = shapelist(pipat,ssi_grad.rfDuration,freqIR,ns,0,seqcon[1]);
}
sgl_error_check(sglerror);
roff1 = -poffset(pro,epi_grad.amppos);
roff2 = -poffset(pro,epi_grad.ampneg);
roffn = -poffset(pro,nav_grad.amp);
roff1 = -poffset(pro,epi_grad.amppos*roamp/epiro_grad.amp);
roff2 = -poffset(pro,epi_grad.ampneg*roamp/epiro_grad.amp);
roffn = -poffset(pro,nav_grad.amp);
dw = granularity(1/sw,1/epi_grad.ddrsr);
/* Total Scan Time */
g_setExpTime(tr*nt*nseg*arraydim);
/******************************************************/
/* PULSE SEQUENCE *************************************/
/******************************************************/
rotate();
F_initval(epi_grad.etl/2, vetl);
/* vetl is the loop counter in the acquisition loop */
/* that includes both a positive and negative readout lobe */
F_initval(nseg, vnseg);
/* NB. F_initval(-ssepi,vssepi); currently gives errors */
initval(-ssepi,vssepi); /* gradient steady state lobes */
obsoffset(resto); delay(GDELAY);
ifzero(rtonce); grad_advance(gpropdelay); endif(rtonce);
loop(vnseg,vnseg_ctr); /* Loop through segments in segmented EPI */
msloop(seqcon[1],ns,vms_slices,vms_ctr); /* Multislice loop */
assign(vssepi,vssepi_ctr);
sp1on(); delay(4e-6); sp1off(); /* Output trigger to look at scope */
if (ticks) {
xgate(ticks);
grad_advance(gpropdelay);
delay(4e-6);
}
getelem(t2,vnseg_ctr,vblip); /* vblip = t2[vnseg_ctr]; either 1 or -1 for pos/neg blip */
/* Optional FAT SAT */
if (fsat[0] == 'y') {
fatsat();
}
/* Optional IR + TI delay */
if (ir[0] == 'y') {
obspower(ir_rf.powerCoarse);
obspwrf(ir_rf.powerFine);
delay(GDELAY);
obl_shapedgradient(ssi_grad.name,ssi_grad.duration,0.0,0.0,ssi_grad.amp,NOWAIT);
delay(ssi_grad.rfDelayBack);
shapedpulselist(shapeIR,ssi_grad.rfDuration,oph,rof1,rof1,seqcon[1],vms_ctr);
delay(ssi_grad.rfDelayBack);
delay(ti_delay);
}
/* 90 ss degree pulse */
obspower(p1_rf.powerCoarse);
obspwrf(p1_rf.powerFine);
delay(GDELAY);
obl_shapedgradient(ss_grad.name,ss_grad.duration,0.0,0.0,ss_grad.amp,NOWAIT);
delay(ss_grad.rfDelayFront);
shapedpulselist(shape90,p1_rf.rfDuration,oph,rof1,rof2,seqcon[1],vms_ctr);
delay(ss_grad.rfDelayBack);
/* Slice refocus */
obl_shapedgradient(ssr_grad.name,ssr_grad.duration,0,0,-ssr_grad.amp,WAIT);
delay(del1);
if (diff[0] == 'y')
obl_shapedgradient(diff_grad.name,diff_grad.duration,
diff_grad.amp*dro,diff_grad.amp*dpe,diff_grad.amp*dsl,WAIT);
delay(del2);
if (diff_in_one)
obl_shapedgradient(diff_grad.name,diff_grad.duration,
-diff_grad.amp*dro,-diff_grad.amp*dpe,-diff_grad.amp*dsl,WAIT);
delay(del3);
/* Optional 180 ss degree pulse with crushers */
if (spinecho[0] == 'y') {
obspower(p2_rf.powerCoarse);
obspwrf(p2_rf.powerFine);
delay(GDELAY);
obl_shapedgradient(ss2_grad.name,ss2_grad.duration,0.0,0.0,ss2_grad.amp,NOWAIT);
delay(ss2_grad.rfDelayFront);
shapedpulselist(shape180,ss2_grad.rfDuration,oph,rof1,rof1,seqcon[1],vms_ctr);
delay(ss2_grad.rfDelayBack);
}
delay(del4);
if ((diff[0] == 'y') && !diff_in_one)
obl_shapedgradient(diff_grad.name,diff_grad.duration,
diff_grad.amp*dro,diff_grad.amp*dpe,diff_grad.amp*dsl,WAIT);
delay(del5);
/* Optional navigator echo */
if (navigator[0] == 'y') {
obl_shapedgradient(ror_grad.name,ror_grad.duration,roramp,0,0,WAIT);
obl_shapedgradient(nav_grad.name,nav_grad.duration,
-nav_grad.amp,0,0,NOWAIT);
delay(tep);
roff = roffn; /* Set receiver offset for navigator gradient */
delay(epi_grad.skip-alfa); /* ramp up */
startacq(alfa);
for(i=0;i<np/2;i++){
sample(dw);
delay((epi_grad.dwell[i] - dw));
}
sample(aqtm-at);
endacq();
delay(epi_grad.skip - dw - (aqtm-at));
/* Phase encode dephaser here if navigator echo was acquired */
var_shapedgradient(per_grad.name,per_grad.duration,0,-peramp,0,perinc,vnseg_ctr,WAIT);
}
else {
var_shapedgradient(per_grad.name,per_grad.duration,
-roramp,-peramp,0,perinc,vnseg_ctr,WAIT);
}
/* Start readout and phase encode gradient waveforms, NOWAIT */
/* If alternating ky-ordering, get polarity on blips from table */
var_shaped3gradient(epiro_grad.name,epipe_grad.name,"", /* patterns */
epiro_grad.duration, /* duration */
roamp,0,0, /* amplitudes */
peamp,vblip, /* step and multiplier */
NOWAIT); /* Don't wait */
delay(tep);
/* Acquisition loop */
assign(one,vacquire); // real-time acquire flag
nowait_loop(epi_grad.etl/2 + ssepi,vetl,vetl_ctr);
ifzero(vssepi_ctr); //vssepi_ctr = -ssepi, -ssepi+1, ..., 0, 1,2,...
assign(zero,vacquire); // turn on acquisition after all ss lobes
endif(vssepi_ctr);
incr(vssepi_ctr);
setacqvar(vacquire); // Set acquire flag
roff = roff1; /* Set receiver offset for positive gradient */
delay(epi_grad.skip-alfa); /* ramp up */
startacq(alfa);
for(i=0;i<np/2;i++){
sample(dw); //dw = 1/sw
delay((epi_grad.dwell[i] - dw));
}
if (aqtm > at) sample(aqtm-at);
endacq();
delay(epi_grad.skip - dw - (aqtm-at));
roff = roff2; /* Set receiver offset for negative gradient */
delay(epi_grad.skip-alfa);
startacq(alfa);
for(i=0;i<np/2;i++){
sample(dw);
delay((epi_grad.dwell[i] - dw));
}
if (aqtm > at) sample(aqtm-at);
endacq();
delay(epi_grad.skip - dw - (aqtm-at));
nowait_endloop(vetl_ctr);
delay(tr_delay);
endmsloop(seqcon[1],vms_ctr); /* end multislice loop */
endloop(vnseg_ctr); /* end segments loop */
} /* end pulsesequence */
void pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
shib[MAXSTR], /* iburp for inversion during first inept */
Hshp[MAXSTR], /* proton inversion during chirp */
ddseq[MAXSTR],
shreb[MAXSTR], /* reburb hard during t2 */
co_shp[MAXSTR], /* shape of co 180 at 176 ppm */
CT_flg[MAXSTR],
codecseq[MAXSTR],
c180_flg[MAXSTR],
n_shift[MAXSTR],
shibca[MAXSTR],
shibcai[MAXSTR];
int phase, phase2, t2_counter, ni2, ni,
t1_counter; /* used for states tppi in t2,t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms; first inept */
mix, /* noesy mixing time */
TC, /* Variable CT period during t1 1/2JCC */
TC2, /* Variable CT period during t3 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pwC,pwClvl,compC,pwN,pwNlvl,ppm,ofs,bw, /*used by Pbox */
d_ib,
pwib,
pwhshp,
pwd1, /* 2H flip back pulses */
d_reb,
pwreb,
ph_reb,
ph_reb1, /* only used if CT_flg=='y' and n_shift=='y' */
pwco180,
dhpwr2,
pwn,
d_co180,
pwcodec, /* carbon pw90 for seduce decoupling */
dpwrsed,
dressed,
d_ibca, /* power level for selective 13Ca pulse during CT-t2 */
pwibca, /* selective 13Ca pulse width */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("n_shift",n_shift);
getstr("Hshp",Hshp);
getstr("CT_flg",CT_flg);
getstr("c180_flg",c180_flg);
compC = getval("compC"); pwN=getval("pwN"); pwNlvl=getval("pwNlvl");
pwC = getval("pwC"); pwClvl=getval("pwClvl");
pwhshp = getval("pwhshp");
taua = getval("taua");
mix = getval("mix");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
ni = getval("ni");
pwd1 = getval("pwd1");
ph_reb = getval("ph_reb");
ph_reb1 = getval("ph_reb1");
TC2 = getval("TC2");
dhpwr2 = getval("dhpwr2");
pwn = getval("pwn");
setautocal();
if(autocal[0]=='n')
{
getstr("shreb",shreb);
getstr("shib",shib);
getstr("shibca",shibca);
getstr("shibcai",shibcai);
getstr("co_shp",co_shp);
getstr("codecseq",codecseq);
d_reb = getval("d_reb");
pwreb = getval("pwreb");
d_ib = getval("d_ib");
pwib = getval("pwib");
d_ibca = getval("d_ibca");
pwibca = getval("pwibca");
d_co180 = getval("d_co180");
pwco180 = getval("pwco180");
pwcodec = getval("pwcodec");
dpwrsed = getval("dpwrsed");
dressed = getval("dressed");
}
else
{
/*strcpy(Hshp,"hard"); former declarations using TNMR.h syntax
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");*/
strcpy(Hshp,"hard");
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");
if (FIRST_FID)
{
ppm = getval("dfrq");
/* These are former declarations (at top) using TNMR.h syntax */
/*REB180 "reburp 110p 5p"*/ /* RE-BURP 180 on Cab at 24.6 ppm, 5 ppm away */
/*IB180 "iburp2 24.4p 1.5p"*/ /* I-BURP 180 on Me at 21.1 ppm, 1.5 ppm away */
/*IBCA "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*IBCAI "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*CO180 "seduce 30p 156p"*/ /* SEDUCE 180 on C' at 175.6 ppm 156 ppm away */
/*CODEC "WURST2 20p/4m 156p"*/ /* WURST2 decoupling on C' at 175.6 ppm 156 ppm away */
/*REB180ps "-stepsize 0.5 -attn i"*/ /* seduce 180 shape parameters */
/*CODECps "-dres 1.0 -maxincr 20.0 -attn i"*/
/*co180 = pbox(co_shp, CO180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibcai = pbox(shibcai, IBCAI, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibca = pbox(shibca, IBCA, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ib180 = pbox(shib, IB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*reb = pbox(shreb, REB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*COdec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwc, dhpwr);*/
bw = 110.0*ppm; ofs = 5.0*ppm;
Preb_5p = pbox_Rsh("Preb_5p", "reburp", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 1.5*ppm;
Pib_1p5 = pbox_Rsh("Pib_1p5", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35p = pbox_Rsh("Pib_35p", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35pi = pbox_Rsh("Pib_35pi", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 30.0*ppm; ofs = 156*ppm;
Psed_156p = pbox_Rsh("Psed_156p", "seduce", bw , ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 156*ppm;
Pdec_156p = pbox_Dsh("Pdec_156p", "WURST2", bw , ofs, compC*pwC, pwClvl);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
d_reb = Preb_5p.pwr; pwreb = Preb_5p.pw;
d_ib = Pib_1p5.pwr; pwib = Pib_1p5.pw;
d_ibca = Pib_35p.pwr; pwibca = Pib_35p.pw;
d_co180 = Psed_156p.pwr; pwco180 = Psed_156p.pw;
dpwrsed = Pdec_156p.pwr; pwcodec = 1.0/Pdec_156p.dmf; dressed = Pdec_156p.dres;
pwc=pwC; dhpwr=pwClvl; pwn=pwN; dhpwr2=pwNlvl; pwhshp=2.0*pw;
pwd1=1/dmf3; pwhshp=2.0*pw;
}
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,8,phi2);
settable(t7,2,phi7);
settable(t8,2,phi8);
settable(t9,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(TC/2.0 - 0.5*(ni-1)*1/(sw1) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni is too big\n");
psg_abort(1);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
if(TC2/2.0 - 0.5*(ni2-1)*1/(sw2) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
if(TC2/2.0 - 0.5*(ni2-1)/sw2 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( d_ib > 54 )
{
printf("don't fry the probe, d_ib too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 51 )
{
printf("don't fry the probe, DPWR3 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwd1 < 100.0e-6 && pwd1 != 0.0)
{
printf("dont fry the probe, pwd1 too short and dpwr3 too high! ");
psg_abort(1);
}
if(d_co180 > 50)
{
printf("dont fry the probe, d_co180 is too high\n ");
psg_abort(1);
}
if(((pwco180 > 250e-6) || (pwco180 < 200e-6)) && (autocal[A] == 'n'))
{
printf("pwco180 is misset < 250 us > 200 us\n");
psg_abort(1);
}
if(dpwrsed > 45)
{
printf("dpwrsed is misset < 46\n");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 ||
gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3 ||
gt10 > 15e-3 || gt11 > 15e-3 || gt12 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase2 == 2) {
tsadd(t2,1,4);
}
if (phase == 2)
tsadd(t1,1,4);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(CT_flg[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(tau2 < 0.4e-6) tau2 = 0.4e-6;
tau2 = tau2/2.0;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
}
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t2,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dhpwr2); /* Set Dec2 power for hard 15N pulses */
dec3power(dpwr3); /* Set Dec3 power for 2H pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
decpower(d_ib); /* set power for chirp during inept */
delay(4e-6);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
txphase(one); decphase(t1);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwc,t1,0.0,0.0);
decphase(zero);
delay(tau1);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC/2.0 - tau1 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
initval(1.0,v3);
decstepsize(ph_reb);
dcplrphase(v3);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(TC/2.0 - tau1 - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(d_ib);
delay(taua - gt6 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(dhpwr);
txphase(one);
delay(taua - gt6 - gstab -2.0e-6 - POWER_DELAY - WFG2_STOP_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(mix - gt7 - 352.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
decpower(d_ib); /* set power level for iburp */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n') {
delay(taua - gt8 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt8 - 4.0e-6 - WFG3_START_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,zero,zero,zero,0.0,0.0);
}
txphase(one); decphase(t2);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt8 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
else
delay(taua - gt8 - 4.0e-6 - WFG3_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(gstab);
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
decrgpulse(pwc,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb);
dcplrphase(v4);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG_STOP_DELAY - POWER_DELAY
- gt10 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
dec2phase(t2); delay(2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decphase(zero);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,0.0e-6,zero,zero,zero,4.0e-6,2.0e-6);
decpower(d_ibca);
decshaped_pulse(shibca,pwibca,zero,4.0e-6,0.0);
decphase(zero);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb1);
dcplrphase(v4);
decpower(d_reb);
sim3shaped_pulse("hard",shreb,"hard",0.0e-6,pwreb,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(t7); decpower(d_ibca);
decshaped_pulse(shibcai,pwibca,t7,4.0e-6,0.0);
decpower(dhpwr); decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG3_STOP_DELAY - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwibca - WFG_STOP_DELAY
- POWER_DELAY
- gt10 - gstab -2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
txphase(one);
decrgpulse(pwc,t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
dec2rgpulse(2.0*pwn,zero,0.0,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff();
decpower(dhpwr);
/* seduce off */
}
else
decrgpulse(2.0*pwc,zero,4.0e-6,0.0);
decrgpulse(pwc,zero,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
txphase(one); dec2phase(t2);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),t2,2.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff(); /* note that ca-n evolves ; keep t2,max <= 9.5ms */
decpower(dhpwr);
/* seduce off */
}
else
sim3pulse(0.0,2.0*pwc,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),zero,4.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
lk_sample();
rgpulse(pw,t8,4.0e-6,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
decpower(d_ib);
if(n_shift[A] == 'n') {
delay(taua - gt12 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,t8,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt12 - 4.0e-6 - WFG3_START_DELAY - POWER_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,t8,zero,zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt12 - 4.0e-6 - WFG2_STOP_DELAY - 2.0*POWER_DELAY);
else
delay(taua - gt12 - 4.0e-6 - WFG3_STOP_DELAY - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,t8,0.0,rof2);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t9);
}
pulsesequence ()
{
double gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
mix = getval("mix"),
wrefpw = getval("wrefpw"),
wrefpwr = getval("wrefpwr"),
wrefpwrf = getval("wrefpwrf"),
phincr1 = getval("phincr1"),
flippwr = getval("flippwr"),
flippwrf = getval("flippwrf"),
flippw = getval("flippw"),
trimpwr = getval("trimpwr"),
gt0 = getval("gt0"),
gzlvl0 = getval("gzlvl0"),
trim = getval("trim"),
h1freq_local = getval("h1freq_local"),
gcal_local = getval("gcal_local"),
coil_size = getval("coil_size"),
zqpw=getval("zqpw"),
zqpwr=getval("zqpwr"),
swfactor = 9.0, /* do the adiabatic sweep over 9.0*sw */
gzlvlzq,invsw;
int iphase = (int) (getval("phase") + 0.5);
char sspul[MAXSTR], trim_flg[MAXSTR], wrefshape[MAXSTR],flipback[MAXSTR],
zqshape[MAXSTR],
zqflg[MAXSTR], alt_grd[MAXSTR],flipshape[MAXSTR];
getstr("sspul", sspul);
getstr("trim_flg", trim_flg);
getstr("wrefshape", wrefshape);
getstr("flipshape", flipshape);
getstr("flipback", flipback);
getstr("zqshape", zqshape);
getstr("zqflg", zqflg);
getstr("alt_grd",alt_grd);
rof1 = getval("rof1"); if(rof1 > 2.0e-6) rof1=2.0e-6;
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v13);
if (coil_size == 0) coil_size=16;
invsw = sw*swfactor;
if (invsw > 60000.0) invsw = 60000.0; /* do not exceed 60 kHz */
invsw = invsw/0.97; /* correct for end effects of the cawurst-20 shape */
if ((zqflg[0] == 'y') && (mix < 0.051))
{
printf("Mixing time should be more than 51 ms for zero quantum suppression\n");
psg_abort(1);
}
gzlvlzq=(invsw*h1freq_local*2349)/(gcal_local*coil_size*sfrq*1e+6);
settable(t1,16,phi1);
settable(t2,16,phi2);
settable(t3,16,phi3);
settable(t4,16,phi4);
settable(t5,16,phi5);
settable(t7,16,phi7);
settable(t8,16,phi8);
settable(t6,16,rec);
settable(t9,16,phi9);
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,oph);
getelem(t7,v12,v7);
getelem(t8,v12,v8);
getelem(t9,v12,v6);
if (zqflg[0] == 'y') add(oph,two,oph);
mod2(ct,v10); /*changing gradient sign on even transitents */
if (iphase == 2)
{ incr(v1); incr(v6); }
/* HYPERCOMPLEX MODE USES REDFIELD TRICK TO MOVE AXIAL PEAKS TO EDGE */
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v9);
if ((iphase == 1)||(iphase == 2)) {add(v1,v9,v1); add(oph,v9,oph), add(v6,v9,v6);}
status(A);
obspower(tpwr); obspwrf(4095.0); decpower(dpwr);
if (sspul[A] == 'y')
{
zgradpulse(gzlvl0,gt0);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
delay(d1);
status(B);
obsstepsize(45.0);
initval(7.0,v11);
xmtrphase(v11);
rgpulse(pw,v1,rof1,rof1);
if (trim_flg[0] == 'y')
{ obspower(trimpwr);
rgpulse(trim,v6,rof1,rof1);
obspower(tpwr);
}
xmtrphase(zero);
if (trim_flg[0] == 'y')
{
if (d2-2.0*pw/3.14 - 2.0*rof1 - SAPS_DELAY - POWER_DELAY> 0)
delay(d2-2.0*pw/3.14-2.0*rof1-SAPS_DELAY - POWER_DELAY);
else
delay(0.0);
}
else
{
if (d2-4.0*pw/3.14 - 2.0*rof1 - SAPS_DELAY> 0)
delay(d2-4.0*pw/3.14-2.0*rof1-SAPS_DELAY);
else
delay(0.0);
}
rgpulse(pw,v7,rof1,rof1);
if (zqflg[0] == 'y')
{
ifzero(v10); rgradient('z',gzlvlzq);
elsenz(v10); rgradient('z',-1.0*gzlvlzq); endif(v10);
obspower(zqpwr);
shaped_pulse(zqshape,zqpw,zero,rof1,rof1);
obspower(tpwr);
rgradient('z',0.0);
delay((mix-0.050-gt1)*0.7);
if (alt_grd[0] == 'y')
{
ifzero(v10); zgradpulse(gzlvl1,gt1);
elsenz(v10); zgradpulse(-1.0*gzlvl1,gt1); endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (flipback[0] == 'n')
delay((mix-0.05-gt1)*0.3);
else
{ delay((mix-0.05-gt1)*0.3 - flippw - rof1);
obsstepsize(1.0);
xmtrphase(v13);
add(v8,two,v8);
obspower(flippwr+6); obspwrf(flippwrf);
shaped_pulse(flipshape,flippw,v8,rof1,rof1);
xmtrphase(zero);
add(v8,two,v8);
obspower(tpwr); obspwrf(4095.0);
}
}
else
{
delay(mix*0.7);
if (alt_grd[0] == 'y')
{
ifzero(v10); zgradpulse(gzlvl1,gt1);
elsenz(v10); zgradpulse(-1.0*gzlvl1,gt1); endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (flipback[0] == 'n')
delay(mix*0.3-gt2);
else
{ delay(mix*0.3 - flippw - rof1);
obsstepsize(1.0);
xmtrphase(v13);
add(v8,two,v8);
obspower(flippwr+6); obspwrf(flippwrf);
shaped_pulse(flipshape,flippw,v8,rof1,rof1);
xmtrphase(zero);
add(v8,two,v8);
obspower(tpwr); obspwrf(4095.0);
}
}
obspower(tpwr);
rgpulse(pw,v8,rof1,rof1);
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);
obspower(wrefpwr+6); obspwrf(wrefpwrf);
shaped_pulse(wrefshape,wrefpw,v5,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(2.0*pw,v4,rof1,rof1);
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(1.2*gzlvl2,gt2);
elsenz(v10); zgradpulse(-1.2*gzlvl2,gt2); endif(v10);
}
else zgradpulse(1.2*gzlvl2,gt2);
delay(gstab);
obspower(wrefpwr+6); obspwrf(wrefpwrf);
shaped_pulse(wrefshape,wrefpw,v3,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(2.0*pw,v2,rof1,rof2);
if (alt_grd[0] == 'y')
{
ifzero(v10); zgradpulse(1.2*gzlvl2,gt2);
elsenz(v10); zgradpulse(-1.2*gzlvl2,gt2); endif(v10);
}
else zgradpulse(1.2*gzlvl2,gt2);
delay(gstab);
status(C);
}
pulsesequence()
{
char f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR],
flg_3919[MAXSTR],
ref_flg[MAXSTR];
int phase, ni2,
t1_counter,
t2_counter;
double gzcal = getval("gzcal"),
factor = 0.08, /* used for 3-9-19 water gate */
tau_3919 = getval("tau_3919"),
flipphase = getval("flipphase"),
tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* 1/4JNH ~ 2.3 ms */
taub, /* 1/4JNH ~ 2.3 ms */
bigT, /* ~ 19 ms */
pwNlvl,
pwN,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
compH = getval("compH"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback pulse */
tpwrs; /* power for the pwHs ("H2Osinc") pulse */
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("flg_3919", flg_3919);
getstr("mag_flg", mag_flg);
getstr("ref_flg", ref_flg);
taua = getval("taua");
taub = getval("taub");
bigT = getval("bigT");
tpwr = getval("tpwr");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
dpwr = getval("dpwr");
dpwr2 = getval("dpwr2");
phase = (int)( getval("phase") + 0.5);
phase2 = (int)( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
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(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,8,phi3);
settable(t4,16, phi4);
if (ref_flg[A] == 'y')
{
settable(t10,8,ref);
}
else
{
settable(t10,8,rec);
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if (ref_flg[A] == 'y' && ni > 1)
{
printf(" Incorrect setting of ni and ref_flg.\n");
printf(" Please choose either ni=1 or ref_flg=n.\n");
psg_abort(1);
}
if (ref_flg[A] == 'y' && dps_flag)
{
printf(" Please use phase2 and ni2 for 2D reference spectrum\n");
if (ni2/sw2 > 2.0*(2.0*bigT - gt5 - 200.0e-6))
{
printf("ni2 is too big, should be < %f\n", 2.0*sw2*(2.0*bigT-gt5-200.0e-6));
psg_abort(1);
}
}
if ((ni2/sw2 > 2.0*(bigT - gt5 - 200.0e-6)) && (ref_flg[A] !='y'))
{
printf(" ni2 is too big, should be < %f\n", 2.0*sw2*(bigT-gt6-200.0e-6));
psg_abort(1);
}
if(dpwr2 > 50)
{
printf("don't fry the probe, dpwr2 is too large! ");
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);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
{
tsadd(t1,1,4);
}
if (phase2 == 2)
{
tsadd(t2,1,4);
}
/* Set up f1180 half_dwell time (1/sw1)/2.0 */
tau1 = d2 - (4.0*pw/PI + 2.0*pwN);
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 half dwell time (1/sw2)/2.0 */
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(t1,2,4);
tsadd(t10,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if(t2_counter % 2)
{
tsadd(t2,2,4);
tsadd(t10,2,4);
}
if (flipphase < -0.01) flipphase = flipphase + 360.0;
initval(flipphase, v10);
obsstepsize(0.25);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
txphase(zero);
dec2phase(zero);
delay(d1);
if(gt1 > 0.2e-6)
{
dec2rgpulse(pwN, zero, 0.2e-6, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl1, gt1);
delay(0.001);
}
rcvroff();
status(B);
rgpulse(pw, zero,rof1, 0.0);
delay(2.0e-6);
if (gt2 > 0.2e-6)
zgradpulse(gzlvl2,gt2);
delay(taua - gt2 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(taua - gt2 - 400.0e-6);
if (gt2 > 0.2e-6)
{
zgradpulse(gzlvl2,gt2);
}
txphase(one);
dec2phase(t2);
delay(400.0e-6);
rgpulse(pw, one, 0.0, 0.0);
if (gt3 > 0.2e-6)
{
delay(2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(200.0e-6);
}
txphase(zero);
dec2rgpulse(pwN, t2, 0.0, 0.0);
if (ref_flg[A] == 'y')
{
delay(tau2);
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2phase(t3);
if (gt5 > 0.2e-6)
{
delay(2.0*bigT - gt5 - 2.0*pw - 1.0e-3);
zgradpulse(gzlvl5, gt5);
delay(1.0e-3);
dec2rgpulse(2.0*pwN, t3, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl5, gt5);
delay(2.0*bigT - tau2 - gt5 - 2.0e-6);
}
else
{
delay(2.0*bigT - 2.0*pw);
dec2rgpulse(2.0*pwN, t3, 0.0, 0.0);
delay(2.0*bigT - tau2);
}
}
else
{
dec2phase(zero);
if (gt4 > 0.2e-6)
{
delay(2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(bigT - gt4 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(1.0e-3 - 2.0e-6);
}
else
{
delay(bigT);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(1.0e-3);
gt4 = 0.0;
}
zgradpulse(gzlvl5, gt5);
txphase(t1);
delay(bigT - gt4 - gt5 - 1.0e-3 - 2.0*GRADIENT_DELAY);
rgpulse(pw, t1, 0.0, 0.0);
delay(tau1);
dec2rgpulse(2.0*pwN, t3, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(pw, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl5, gt5);
dec2phase(t4);
if (gt6 > 0.2e-6)
{
delay(tau2 + 100.0e-6);
zgradpulse(gzlvl6, gt6);
delay(bigT - gt5 - gt6 - 100.0e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, t4, 0.0, 0.0);
delay(2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl6, gt6);
delay(bigT - tau2 - gt6 - 2.0e-6);
}
else
{
delay(bigT + tau2 - gt5 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, t4, 0.0, 0.0);
dec2phase(zero);
delay(bigT - tau2);
}
}
if (gt7 > 0.2e-6)
{
dec2rgpulse(pwN, zero, 0.0,2.0e-6);
zgradpulse(gzlvl7, gt7);
txphase(zero);
delay(200.0e-6);
if (pwHs > 0.2e-6)
{
xmtrphase(v10);
if (tpwrsf<4095.0) {obspower(tpwrs+6.0); obspwrf(tpwrsf);}
else obspower(tpwrs);
txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 0.0);
xmtrphase(zero);
obspower(tpwr); obspwrf(4095.0);
}
rgpulse(pw, zero, 2.0e-6, 0.0);
}
else
{
sim3pulse(pw,(double)0.0, pwN, zero,zero, zero, 0.0, 0.0);
}
delay(2.0e-6);
if(mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl8, gt8);
}
else
{
zgradpulse(gzlvl8, gt8);
}
if (flg_3919[A] == 'y')
{
delay(taub - 31.0*factor*pw - 2.5*tau_3919 - gt8 - 2.0e-6);
rgpulse(pw*factor*3.0, two, 0.0, 0.0);
delay(tau_3919);
rgpulse(pw*factor*9.0, two, 0.0, 0.0);
delay(tau_3919);
rgpulse(pw*factor*19.0, two, 0.0, 0.0);
delay(tau_3919/2.0 - pwN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau_3919/2.0 - pwN);
rgpulse(pw*factor*19.0, zero, 0.0, 0.0);
delay(tau_3919);
rgpulse(pw*factor*9.0, zero, 0.0, 0.0);
delay(tau_3919);
rgpulse(pw*factor*3.0, zero, 0.0, 0.0);
delay(taub - 31.0*factor*pw - 2.5*tau_3919 - gt8 - POWER_DELAY - 402.0e-6);
}
else
{
if (tpwrsf<4095.0) {obspower(tpwrs+6.0); obspwrf(tpwrsf);}
else obspower(tpwrs);
txphase(two);
xmtrphase(v10);
delay(taub - pwHs - gt8 - 2.0*POWER_DELAY - 2.0e-6);
shaped_pulse("H2Osinc", pwHs, two, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
xmtrphase(zero);
txphase(zero);
sim3pulse(2.0*pw, (double)0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0);
if (tpwrsf<4095.0) {obspower(tpwrs+6.0); obspwrf(tpwrsf);}
else obspower(tpwrs);
txphase(two);
xmtrphase(v10);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 0.0);
xmtrphase(zero);
obspower(tpwr); obspwrf(4095.0);
dec2power(dpwr2);
delay(taub - pwHs - gt8 - 3.0*POWER_DELAY - 402.0e-6);
}
dec2power(dpwr2);
if(mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl8, gt8);
}
else
{
zgradpulse(gzlvl8, gt8);
}
delay(400.0e-6);
status(C);
setreceiver(t10);
rcvron();
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char
URA[MAXSTR], /* Setup for U-imino - U-H6 */
flipback[MAXSTR],
CCdseq[MAXSTR],
CYT[MAXSTR], /* Setup for C-imino - C-H6 */
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
C5[MAXSTR], /* Setup for C-imino - C-H6 */
C6[MAXSTR], /* Setup for C-imino - C-H6 */
CT[MAXSTR], /* constant time in t1 */
N15refoc[MAXSTR], /* N15 pulse in middle of t1*/
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int ni2 = getval("ni2"),
t1_counter,
t2_counter;
double
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
tau1, /* t1 delay */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
lambdaN = 0.94/(4.0*getval("JNH")), /* 1/4J N-H INEPT delay */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
rfN, /* maximum fine power when using pwN pulses */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
rfH, /* maximum fine power when using pw pulses */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_65, /* tof shifted to 6.0 ppm for H4-N4 transfer */
tof_125, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_169, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_140, /* dof shifted to 140 ppm for C4-C5-C6 transfer and DEC1 */
dof_104, /* dof shifted to 104 ppm for C4-C5-C6 transfer and DEC1 */
dof_153, /* dof shifted to 153 ppm for C4-C5-C6 transfer and DEC1 */
dof_135, /* dof shifted to 135 ppm for C4-C5-C6 transfer and DEC1 */
dof_120, /* dof shifted to 120 ppm for C4-C5-C6 transfer and DEC1 */
dof_130, /* dof shifted to 130 ppm for C4-C5-C6 transfer and DEC1 */
dof_141, /* dof shifted to 141 ppm for C4-C5-C6 transfer and DEC1 */
dof_133, /* dof shifted to 132.5 ppm for C4-C5-C6 transfer and DEC1 */
dof_123, /* dof shifted to 122.5 ppm for C4-C5-C6 transfer and DEC1 */
dof_98, /* dof shifted to 98.0 ppm for C4-C5-C6 transfer and DEC1 */
dof_175, /* dof shifted to 175 ppm for C4-C5-C6 transfer and DEC1 */
dof2_98, /* dof2 shifted to 98.5 ppm for H4-N4 and N4-C4 transfer */
dof2_160, /* dof2 shifted to 160 ppm for H3-N3 and N3-C4 transfer */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC-rfdN-rfdH */
pwZa, /* the largest of 2.0*pw and 2.0*pwN */
rfdC, /* fine C13 power for 1.9 kHz rf for 500MHz magnet */
p_d2, /* 50 degree pulse for DIPSI-3 at rfdC3 */
rfdC3, /* fine C13 power for 10 kHz rf for 500MHz magnet */
rfdN, /* fine N15 power for 1.9 kHz rf for 500MHz magnet */
rfdH, /* fine H1 power for 1.9 kHz rf for 500MHz magnet */
ncyc_hn = getval("ncyc_hn"), /* number of pulsed cycles in HN half-DIPSI-3 */
ncyc_nc = getval("ncyc_nc"), /* number of pulsed cycles in NC DIPSI-3 */
ncyc_cc = getval("ncyc_cc"), /* number of pulsed cycles in CC DIPSI-3 */
CTdelay = getval("CTdelay"), /* total constant time evolution */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gstab = getval("gstab"),
finepwrf = getval("finepwrf"), /* fine power adjustment */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("URA",URA);
getstr("flipback",flipback);
getstr("CYT",CYT);
getstr("C5",C5);
getstr("C6",C6);
getstr("CT",CT);
getstr("N15refoc",N15refoc);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("CCdseq",CCdseq);
getstr("CChomodec",CChomodec);
/* LOAD PHASE TABLE */
/*
static int phi1[2] = {0,2},
phi3[8] = {0,0,0,0, 2,2,2,2},
phi4[16]= {0,0,0,0, 0,0,0,0, 2,2,2,2, 2,2,2,2},
phi5[4] = {0,0,2,2},
rec2[8] = {0,2,2,0, 2,0,0,2};
*/
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t5,4,phi5);
settable(t10,8,rec2);
/* INITIALIZE VARIABLES */
if (2.0*pw > 2.0*pwN) pwZa = 2.0*pw;
else pwZa = 2.0*pwN;
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* maximum fine power for pwN pulses */
rfN = 4095.0;
/* maximum fine power for pw pulses */
rfH = 4095.0;
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
/* For U 10-15 ppm in Imino region during acquisition (ie 12.5 +/- 2.5 ppm)
and 4.5 -9 ppm during indirect dimensional acquisition (ie 6.75 +/- 2.25 ppm)
For C 4.5 -9ppm (6.75 +/- 2.25ppm) during indirect acqusisition and 6-9ppm during direct (7.5 +/- 1.5ppm)
*/
tof_65 = tof + 2.05*sfrq; /* tof shifted to nH2/nH */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_125 = tof + 7.8*sfrq; /* tof shifted to nH */
dof_175 = dof + 65*dfrq; /* dof shifted to C4 */
dof_169 = dof + 59*dfrq; /* dof shifted to C4 */
dof_140 = dof + 30*dfrq; /* dof shifted to C6 */
dof_104 = dof - 6.0*dfrq; /* dof shifted to C6 */
dof_141 = dof + 31*dfrq; /* dof shifted to C6 */
dof_153 = dof + 43*dfrq; /* dof shifted to C6 */
dof_135 = dof + 25*dfrq; /* dof shifted to C6 */
dof_133 = dof + 22.5*dfrq; /* dof shifted to C6 */
dof_120 = dof + 10*dfrq; /* dof shifted to C6 */
dof_130 = dof + 20*dfrq; /* dof shifted to C6 */
dof_98 = dof - 12*dfrq; /* dof shifted to C6 */
dof_123 = dof + 12.5*dfrq; /* dof shifted to C6 */
dof2_160 = dof2 - 40*dfrq2; /* dof2 shifted to Nh */
dof2_98 = dof2 - 101.5*dfrq2; /* dof2 shifted to Nh2 */
/* 1.9 kHz field strength DIPSI-3 at 500MHz adjusted for this sfrq*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0));
/* fine C13 power for dipsi-3 isotropic mixing on C4 region */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
/* 10 kHz field strength DIPSI-3 at 500MHz adjusted for this sfrq*/
p_d2 = (5.0)/(9.0*4.0*10000.0*(sfrq/500.0));
/* fine C13 power for dipsi-3 isotropic mixing on C2/C6 region */
rfdC3 = (compC*4095.0*pwC*5.0)/(p_d2*9.0);
rfdC3 = (int) (rfdC3 + 0.5);
/* fine N15 power for dipsi-3 isotropic mixing on Nh region */
rfdN = (compN*4095.0*pwN*5.0)/(p_d*9.0);
rfdN = (int) (rfdN + 0.5);
/* fine H1 power for half dipsi-3 isotropic mixing on nH2 region */
rfdH = (compH*4095.0*pw*5.0)/(p_d*9.0);
rfdH = (int) (rfdH + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
/* number of cycles and mixing time */
ncyc_nc = (int) (ncyc_nc + 0.5);
ncyc_hn = (int) (ncyc_hn + 0.5);
ncyc_cc = (int) (ncyc_cc + 0.5);
if (ncyc_nc > 0 )
{
printf("NC-mixing time is %f ms.\n",(ncyc_nc*51.8*4*p_d));
}
if (ncyc_cc > 0 )
{
printf("CC-mixing time is %f s.\n",(ncyc_cc*51.8*4*p_d2));
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t5,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t5,2,4); tsadd(t10,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
if (phase2 == 2)
{
tsadd(t3,1,4);
}
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t10,2,4);
}
/* CHECK VALIDITY OF PARAMETER RANGE */
if ((CT[A]=='y') && (ni/sw1 > CTdelay))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)(CTdelay*sw1)) ); psg_abort(1); }
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
if( ncyc_hn > 2 )
{
text_error("check H->N half-dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_nc > 7 )
{
text_error("check N->C dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_cc > 7 )
{
text_error("check C->C dipsi-3 time !! ");
psg_abort(1);
}
if((C5[A] == 'y') && ( ncyc_cc > 4) )
{
text_error("check C->C dipsi-3 time equal to 6.5 ms !! ");
psg_abort(1);
}
if((C6[A] == 'y') && (( ncyc_cc > 6) || ( ncyc_cc < 3)))
{
text_error("check C->C dipsi-3 time equal to 13 ms !! ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CYT[A] == 'y') )
{
text_error("Choose either URA or CYT !! ");
psg_abort(1);
}
if( (URA[A] == 'n') && (CYT[A] == 'n') )
{
text_error("Do you really want to run this experiment ?? ");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
obspwrf(rfH);
obsstepsize(0.5);
decpower(pwClvl);
decpwrf(rfC);
decstepsize(0.5);
dec2power(pwNlvl);
dec2pwrf(rfN);
dec2stepsize(0.5);
if (C6[A]=='y') decoffset(dof_141); /* frequency for the NC-tocsy */
if (URA[A] == 'y')
{
obsoffset(tof_65); /* Set the proton frequency to U-nH */
dec2offset(dof2_160); /* Set the nitrogen frequency to U-Nh */
if (C5[A]=='y') decoffset(dof_104);
}
else if (CYT[A] == 'y')
{
obsoffset(tof_65); /* Set the proton frequency to C-nH2 */
dec2offset(dof2_98); /* Set the nitrogen frequency to C-Nh2 */
if (C5[A]=='y') decoffset(dof_98);
}
else
{
}
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
initval(ncyc_nc,v11);
initval(ncyc_cc,v2);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* x,-x */
txphase(zero);
delay(lambda);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, 0.0);
decphase(t5);
delay(lambda);
simpulse(pw, pwC, one, t5, 0.0, 0.0); /* x, -x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5);
simpulse(2*pw, 2*pwC, one, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambda - gt5 - 2*POWER_DELAY);
if (CChomodec[A]=='y')
{
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
if (N15refoc[A]=='y')
{
if (tau1 > (pwN + 0.64*pw))
{
delay(tau1 - pwN - 0.64*pw);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else if (tau1 > 0.64*pw)
delay(2.0*tau1 - 2.0*0.64*pw);
}
else
{
if (tau1 > pw)
{
delay(tau1 - 0.64*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(tau1 - 0.64*pw);
}
else
delay(2.0*tau1);
}
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwClvl);
} /* END CC H**O DEC */
else
{
/***************** CONSTANT TIME EVOLUTION *****************/
if (CT[A]=='y') {
/***************/
delay(CTdelay/2.0 - tau1);
decrgpulse(2.0*pwC, zero, 2.0e-6, 0.0);
{delay(CTdelay/2.0 - pwZa);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);}
delay(tau1);
/***************/
}
else if (N15refoc[A]=='y')
{
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{
if (tau1 > (2.0*GRADIENT_DELAY + pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else if (tau1 > (pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*pw - SAPS_DELAY );
}
} /* End No CC homodec */
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magnetization to x */
decoffset(dof_135); /* frequency for the NC-tocsy */
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
decpwrf(rfdC3);
starthardloop(v2);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,two,0.0,0.0);
decrgpulse(8.2*p_d2,zero,0.0,0.0);
decrgpulse(5.8*p_d2,two,0.0,0.0);
decrgpulse(5.7*p_d2,zero,0.0,0.0);
decrgpulse(0.6*p_d2,two,0.0,0.0);
decrgpulse(4.9*p_d2,zero,0.0,0.0);
decrgpulse(7.5*p_d2,two,0.0,0.0);
decrgpulse(5.3*p_d2,zero,0.0,0.0);
decrgpulse(7.4*p_d2,two,0.0,0.0);
decrgpulse(6.4*p_d2,zero,0.0,0.0);
decrgpulse(8.2*p_d2,two,0.0,0.0);
decrgpulse(5.8*p_d2,zero,0.0,0.0);
decrgpulse(5.7*p_d2,two,0.0,0.0);
decrgpulse(0.6*p_d2,zero,0.0,0.0);
decrgpulse(4.9*p_d2,two,0.0,0.0);
decrgpulse(7.5*p_d2,zero,0.0,0.0);
decrgpulse(5.3*p_d2,two,0.0,0.0);
decrgpulse(7.4*p_d2,zero,0.0,0.0);
endhardloop();
decphase(one);
decpwrf(rfC);
decrgpulse(pwC,three,0.0,0.0); /* flip transferred 13C-magnetization to x */
decoffset(dof_175);
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magnetization to x */
decpwrf(rfdC); /* Set fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
dec2phase(zero);
decphase(zero);
starthardloop(v11);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
endhardloop();
obspwrf(rfH);
decpwrf(rfC);
dec2pwrf(rfN);
obsoffset(tof);
txphase(zero);
decphase(one);
if (tau2 > 0.0)
{
if (tau2 > (2.0*GRADIENT_DELAY + pwC + 0.64*pw + 5.0*SAPS_DELAY))
{
zgradpulse(gzlvlr, 0.8*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
delay(0.2*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw) - SAPS_DELAY);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
delay(0.2*(tau2 - 2.0*GRADIENT_DELAY - pwC - 0.64*pw));
}
else if (tau2 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau2 - 2.0*0.64*pw - SAPS_DELAY );
}
else
{;}
if( CYT[A] == 'y' )
{
zgradpulse(gzlvl5,gt5);
delay(lambdaN/2.0 - gt5);
sim3pulse(2*pw, 0.0, 2*pwN,zero, zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN/2.0 - gt5);
}
else if( URA[A] == 'y' )
{
zgradpulse(gzlvl5,gt5);
delay(lambdaN - gt5);
sim3pulse(2*pw, 0.0, 2*pwN,zero, zero,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - gt5);
}
dec2rgpulse(pwN,t3,0.0,0.0);
if (flipback[A]=='y')
{
zgradpulse(gzlvl3,gt3);
delay(gstab);
txphase(zero);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
}
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
obspwrf(finepwrf);
zgradpulse(gzlvl4,gt4);
delay(lambdaN - 2.0*POWER_DELAY - gt4 -rof1 -2.0*GRADIENT_DELAY - pwHs2);
rgpulse(pwHs2, two, rof1, rof1);
obspower(tpwr);
obspwrf(4095.0);
sim3pulse(2*pw, 0.0, 2*pwN, zero, zero, zero, rof1, rof1);
obspwrf(finepwrf);
obspower(tpwrs2);
rgpulse(pwHs2, two, rof1, rof1);
zgradpulse(gzlvl4,gt4);
delay(lambdaN - 3*POWER_DELAY - gt4 - 2.0*GRADIENT_DELAY - pwHs2);
dec2rgpulse(pwN,t4,0.0,0.0);
dec2rgpulse(pwN,zero,0.0,0.0);
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
rcvron();
setreceiver(t10);
}