pulsesequence()
{
char
f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR]; /* y for magic angle, n for z-gradient only */
int
icosel,
t1_counter,
t2_counter;
double
ni2,
ratio, /* used to adjust t1 semi-constant time increment */
tau1,
tau2,
taua, /* ~ 1/4JCH = 1.5 ms - 1.7 ms] */
taub, /* ~ 3.3 ms */
bigTC, /* ~ 8 ms */
bigTCO, /* ~ 6 ms */
bigTN, /* ~ 12 ms */
tauc, /* ~ 5.4 ms */
taud, /* ~ 2.3 ms */
gstab, /* ~0.2 ms, gradient recovery time */
pwClvl, /* High power level for carbon on channel 2 */
pwC, /* C13 90 degree pulse length at pwClvl */
compH, /* Compression factor for H1 on channel 1 */
compC, /* Compression factor for C13 on channel 2 */
pwNlvl, /* Power level for Nitrogen on channel 3 */
pwN, /* N15 90 degree pulse lenght at pwNlvl */
maxpwCN,
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
pwCa90, /*90 "offC13" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCa180, /*180 "offC17" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCO90, /* 90 "offC6" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCO180, /* 180 "offC8" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCab180, /* 180 "offC27" pulse at Cab(46ppm) xmtr at CO(174ppm)*/
tpwrHd, /* Power level for proton decoupling on channel 1 */
pwHd, /* H1 90 degree pulse lenth at tpwrHd. */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
phi_CO, /* phase correction for Bloch-Siegert effect on CO */
phi_Ca, /* phase correction for Bloch-Siegert effect on Ca */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6, /* N15 selection gradient level in DAC units */
gzlvl7,
gzlvl0, /* H1 gradient level in DAC units */
gzcal, /* gradient calibration (gcal) */
dfCa180,
dfCab180,
dfC90,
dfCa90,
dfCO180;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg", mag_flg);
gzcal = getval("gzcal");
ni2 = getval("ni2");
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
bigTC = getval("bigTC");
bigTCO = getval("bigTCO");
bigTN = getval("bigTN");
taud = getval("taud");
gstab = getval("gstab");
pwClvl = getval("pwClvl");
pwC = getval("pwC");
compH = getval("compH");
compC = getval("compC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
phi_CO = getval("phi_CO");
phi_Ca = getval("phi_Ca");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt0 = getval("gt0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl0 = getval("gzlvl0");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
pwCa90 = getval("pwCa90");
pwCa180 = getval("pwCa180");
pwCab180 = getval("pwCab180");
pwCO90 = getval("pwCO90");
pwCO180 = getval("pwCO180");
dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/
dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/
dfC90 = (compC*4095.0*pwC*1.69)/pwCO90; /*power for "offC6" pulse */
dfCa90 = (compC*4095.0*pwC)/pwCa90; /*power for "offC13" pulse*/
dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */
dfCa90 = (int) (dfCa90 + 0.5);
dfCa180 = (int) (dfCa180 + 0.5);
dfC90 = (int) (dfC90 + 0.5);
dfCO180 = (int) (dfCO180 + 0.5);
dfCab180 = (int) (dfCab180 +0.5);
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrHd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrHd = (int) (tpwrHd + 0.5);
}
else
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm;
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 128.0*ppm;
offC13 = pbox_make("offC13", "square90n", bw, ofs, compC*pwC, pwClvl);
ofs = -128.0*ppm;
offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 2.8*7500.0;
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
dfC90 = offC6.pwrf; pwCO90 = offC6.pw;
dfCO180 = offC8.pwrf; pwCO180 = offC8.pw;
dfCa90 = offC13.pwrf; pwCa90 = offC13.pw;
dfCa180 = offC17.pwrf; pwCa180 = offC17.pw;
dfCab180 = offC27.pwrf; pwCab180 = offC27.pw;
tpwrHd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
maxpwCN = 2.0*pwN;
if (pwCab180 > pwN) maxpwCN = pwCab180;
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t5,1,phi5);
settable(t16,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ni > 64)
{
printf("ni is out of range. Should be: 14 to 64 ! \n");
psg_abort(1);
}
/*
if(ni/sw1 > 2.0*(bigTCO))
{
printf("ni is too big, should be < %f\n", sw1*2.0*(bigTCO));
psg_abort(1);
}
*/
if(ni2/sw2 > 2.0*(bigTN - pwCO180))
{
printf("ni2 is too big, should be < %f\n",2.0*sw2*(bigTN-pwCO180));
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase1 == 1)
{
tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if ((f1180[A] == 'y') && (ni > 1))
{ tau1 += (1.0/(2.0*sw1)); }
if(tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/4.0;
ratio = 2.0*bigTCO*sw1/((double) ni);
ratio = (double)((int)(ratio*100.0))/100.0;
if (ratio > 1.0) ratio = 1.0;
if((dps_flag) && (ni > 1))
printf("ratio = %f => %f\n",2.0*bigTCO*sw1/((double) ni), ratio);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if ((f2180[A] == 'y') && (ni2 > 1))
{ tau2 += (1.0/(2.0*sw2)); }
if(tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/4.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if((t1_counter % 2))
{
tsadd(t1,2,4);
tsadd(t16,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if((t2_counter % 2))
{
tsadd(t2,2,4);
tsadd(t16,2,4);
}
decstepsize(1.0);
initval(phi_CO, v1);
initval(phi_Ca, v2);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1-1.0e-3);
obsoffset(tof);
decoffset(dof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
rcvroff();
if(gt6 > 0.2e-6)
{
delay(10.0e-6);
decrgpulse(pwC, zero, 1.0e-6, 1.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
}
decpwrf(dfCa180);
delay(1.0e-3);
rgpulse(pw,zero,1.0e-6,1.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(taua - gt0 - 2.0e-6 - WFG_START_DELAY);
simshaped_pulse("","offC17",2.0*pw,pwCa180,zero,zero,1.0e-6,1.0e-6);
/* c13 offset on CO, slp 180 on Ca */
delay(taua - gt0 - 500.0e-6 - WFG_STOP_DELAY);
zgradpulse(gzlvl0,gt0);
txphase(one);
delay(500.0e-6);
rgpulse(pw, one, 1.0e-6, 1.0e-6);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
obspower(tpwrHd);
decpwrf(dfCa90);
delay(200.0e-6);
/* c13 offset on CO, slp 90 on Ca */
decshaped_pulse("offC13", pwCa90, zero, 0.0, 0.0);
delay(taub -PRG_START_DELAY);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfC90);
decphase(t1);
delay(bigTC -taub -SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, on-res 90 on CO */
decshaped_pulse("offC6", pwCO90, t1, 0.0, 0.0);
/* CO EVOLUTION BEGINS */
decpwrf(dfCO180);
decphase(zero);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfCab180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_STOP_DELAY);
xmtroff();
obsprgoff();
/* c13 offset on CO, slp 180 at Cab */
sim3shaped_pulse("","offC27","",0.0,pwCab180,2.0*pwN,zero,zero,zero,0.0,0.0);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfCO180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_START_DELAY);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfC90);
dcplrphase(v1);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1 -SAPS_DELAY);
/* CO EVOLUTION ENDS */
decshaped_pulse("offC6", pwCO90, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 90 on CO */
decpwrf(dfCa90);
decphase(t3); dcplrphase(v2);
delay(bigTC -2.0*SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, slp 90 at Ca */
decshaped_pulse("offC13", pwCa90, t3, 0.0, 0.0);
xmtroff();
decpwrf(dfCO180);
decphase(zero); dcplrphase(zero);
dec2phase(t2);
delay(2.0e-5);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
txphase(zero);
delay(150.0e-6);
dec2rgpulse(pwN, t2, 0.0, 0.0);
/* N15 EVOLUTION BEGINS HERE */
delay(bigTN/2.0 -tau2);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); /* c13 offset on CO, on-res 180 on CO */
decpwrf(dfCa180);
dec2phase(t4);
delay(bigTN/2.0 -tau2);
dec2rgpulse(2.0*pwN, t4, 0.0, 0.0);
decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0); /* c13 offset on CO, slp 180 at Ca */
decpwrf(dfCO180);
delay(bigTN/2.0 +tau2 -pwCa180 -WFG_START_DELAY -WFG_STOP_DELAY);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 180 on CO */
delay(bigTN/2.0 +tau2 -tauc -PRG_STOP_DELAY);
dec2phase(t5);
xmtroff();
obsprgoff();
obspower(tpwr);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1);
delay(tauc -gt1 -2.0*GRADIENT_DELAY);
/* N15 EVOLUTION ENDS HERE */
sim3pulse(pw,0.0, pwN, zero,zero, t5, 0.0, 0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 500.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
txphase(one);
decphase(one);
delay(500.0e-6);
sim3pulse(pw,0.0, pwN, one,zero, one, 0.0, 0.0);
delay(2.0e-6);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 2.0*POWER_DELAY - 500.0e-6);
zgradpulse(gzlvl5, gt5);
decpower(dpwr);
dec2power(dpwr2);
delay(500.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gstab +gt2 +2.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt2);
else zgradpulse(icosel*gzlvl2, gt2);
delay(0.5*gstab);
rcvron();
statusdelay(C, 0.5*gstab);
setreceiver(t16);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
gt0,
gt1,
gt2,
gt3,
gt4,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
decstep1,
bw, ofs, ppm,
pwd1,
dpwr3_D,
pwd,
tpwrs,
pwHs,
dof_me,
tof_dtt,
tpwrs1,
pwHs1,
dpwrsed,
pwsed,
dressed,
rfrb_cg,
pwrb_cg;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
tofps = getval("tofps");
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
BigTC1 = getval("BigTC1");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
decstep1 = getval("decstep1");
pwd1 = getval("pwd1");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
pwHs1 = pwHs;
tpwrs=-16.0; tpwrs1=tpwrs;
tof_dtt = getval("tof_dtt");
dpwrsed = -16;
pwsed = 1000.0;
dressed = 90.0;
pwrb_cg = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 136.0*ppm;
cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl);
if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! ");
if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! ");
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs); tpwrs1=tpwrs;
dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres;
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,8,phi7);
settable(t8,1,phi8);
settable(t9,2,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(dpwr3_D > 49)
{
printf("dpwr3_D is too high; < 50\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if(dpwrsed > 48)
{
printf("dpwrsed must be less than 49\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
if(ix==1) {
printf("make sure that BigTC1 is set properly for your application\n");
printf("7 ms, neglecting relaxation \n");
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t1,1,4);
tsadd(t2,1,4);
tsadd(t3,1,4);
tsadd(t4,1,4);
}
if (phase2 == 2)
tsadd(t8,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 2.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to low power */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
decoffset(dof_me);
lk_hold();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs1);
shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab);
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
if(C_flg[A] == 'n') {
decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6);
decprgon(cosed.name,pwsed,dressed);
decon();
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1);
decoff();
decprgoff();
decblank();
decpower(pwClvl);
}
else
simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6);
decrgpulse(pwC,t5,2.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t6);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t6,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t7);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2H decoupling off */
decrgpulse(pwC,t7,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t8);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t8,4.0e-6,0.0);
decoffset(dof_me);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 -gstab
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - POWER_DELAY - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t9);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic angle gradient*/
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
del = getval("del"), /* time delays for CH coupling evolution */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "biocal" */
/* and string parameter stCdec calls them from your shapelib. */
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* p_d is used to calculate the isotropic mixing on the Cab region */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field strength in Hz */
p_d, /* 50 degree pulse for DIPSI-2 at rfd */
rfd, /* fine power for 7 kHz rf for 500MHz magnet */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "ghcch_tocsy" . SLP pulse shapes, "offC10" etc are called */
/* directly from your shapelib. */
pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */
pwZ, /* the largest of pwC10 and 2.0*pwN */
rf10, /* fine power for the pwC10 ("offC10") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
strcpy(stCdec, "stCdec80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
pwC10 = getval("pwC10");
rf10 = (compC*4095.0*pwC*2.0*1.65)/pwC10; /* needs 1.65 times more */
rf10 = (int) (rf10 + 0.5); /* power than a square pulse */
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = 139.0*ppm;
offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if(dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rf10 = offC10.pwrf; pwC10 = offC10.pw;
}
/* dipsi-3 decoupling on CbCa */
p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 Field Strength */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 1.0e-4)
{
printf(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 1.0e-4));
psg_abort(1);
}
if( dm[A] == 'y' )
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! Should be 'nnn' or 'nyn' ");
psg_abort(1);
}
if( dpwr > 52 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if ( dm3[B] == 'y' )
lk_sample();
if ((ni/sw1-d2)>0)
delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/
if ((ni2/sw2-d3)>0)
delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(icosel1*gzcal*gzlvl1,0.1*gt1);
}
else
{
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
}
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rf10);
delay(tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC10", "", 2.0*pw, pwC10, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if(pwC10>2.0*pwN) pwZ=0.0; else pwZ=2.0*pwN - pwC10;
delay(tau2);
decpwrf(rf0);
if (mag_flg[A] == 'y')
{
magradpulse(-icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
}
delay(2.02e-4);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rf10);
if (mag_flg[A] == 'y')
{
magradpulse(icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
}
delay(2.0e-4 + WFG3_START_DELAY + pwZ);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
decpwrf(rf0);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
rcvron();
if ((STUD[A]=='n') && (dm[C] == 'y'))
decpower(dpwr);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(0.5*del-40.0e-6 -gt1 -1/dmf3);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
lk_sample();
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
else
{
delay(0.5*del-40.0e-6 -gt1);
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
setreceiver(t11);
}
pulsesequence()
{
char sel_flg[MAXSTR],
autocal[MAXSTR],
glyshp[MAXSTR];
int icosel, t1_counter, ni = getval("ni");
double
d2_init=0.0,
tau1, tau2,
tau3,
glypwr,glypwrf, /* Power levels for Cgly selective 90 */
pwgly, /* Pulse width for Cgly selective 90 */
waltzB1 = getval("waltzB1"), /* 1H decoupling strength (in Hz) */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
tauCaCb = getval("tauCaCb"),
tauNCa = getval("tauNCa"),
tauNCo = getval("tauNCo"),
tauCaCo = getval("tauCaCo"),
compH = getval("compH"), /* adjustment for H1 amplifier compression */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
bw,ppm,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
compC = getval("compC"), /* amplifier compression 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 */
dpwr2 = getval("dpwr2"), /* power for N15 decoupling */
pwCa90, /* length of square 90 on Ca */
pwCa180,
pwCab90,
pwCab180,
phshift, /* phase shift induced on Ca by 180 on CO in middle of t1 */
pwCO180, /* length of 180 on CO */
pwS = getval("pwS"), /* used to change 180 on CO in t1 for 1D calibrations */
pwZ, /* the largest of pwCO180 and 2.0*pwN */
pwZ1, /* the largest of pwCO180 and 2.0*pwN for 1D experiments */
sw1 = getval("sw1"),
swCb = getval("swCb"),
swCa = getval("swCa"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_Ca, cos_Cb,
angle_N, angle_Ca, angle_Cb, /* angle_N is calculated automatically */
gstab = getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt10= getval("gt10"), gzlvl10= getval("gzlvl10"),
gt11= getval("gt11"), gzlvl11= getval("gzlvl11"),
gt12= getval("gt12"), gzlvl12= getval("gzlvl12");
angle_N = 0;
glypwr = getval("glypwr");
pwgly = getval("pwgly");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_Cb = 0;
cos_Ca = 0;
getstr("autocal", autocal);
getstr("glyshp", glyshp);
getstr("sel_flg",sel_flg);
pwHs = getval("pwHs"); /* H1 90 degree pulse length at tpwrs */
/* LOAD PHASE TABLE */
settable(t2,1,phy);
settable(t3,2,phi3); settable(t4,1,phx); settable(t5,4,phi5);
settable(t8,1,phy); settable(t9,8,phi9); settable(t10,1,phx);
settable(t11,1,phy); settable(t12,4,rec);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3; lambda = 2.4e-3;
/* 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 */
pwHs = 1.7e-3*500.0/sfrq;
widthHd = 2.861*(waltzB1/sfrq); /* bandwidth of H1 WALTZ16 decoupling in ppm */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* get calculated pulse lengths of shaped C13 pulses */
pwCa90 = c13pulsepw("ca", "co", "square", 90.0);
pwCa180 = c13pulsepw("ca", "co", "square", 180.0);
pwCO180 = c13pulsepw("co", "cab", "sinc", 180.0);
pwCab90 = c13pulsepw("cab","co", "square", 90.0);
pwCab180= c13pulsepw("cab","co", "square", 180.0);
/* the 180 pulse on CO at the middle of t1 */
if (pwCO180 > 2.0*pwN) pwZ = pwCO180; else pwZ = 2.0*pwN;
if ((pwS==0.0) && (pwCO180>2.0*pwN)) pwZ1=pwCO180-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwS = 180.0;
if ( pwS > 0 ) phshift = 320.0;
else phshift = 0.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_Cb=getval("angle_Cb"); cos_Cb=cos(PI*angle_Cb/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_Cb < 0) || (angle_Cb > 90) )
{ printf ("angle_Cb 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_Cb*cos_Cb + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_Cb*cos_Cb + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCb*cos_Cb + 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_Cb:\t%6.2f\n", angle_Cb);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t3,3,4); tsadd(t2,3,4);} /* SC */
else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t3,3,4); tsadd(t2,3,4); tsadd(t5,1,4);} /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Cb/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);}
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' ) lk_hold();
rcvroff();
obsoffset(tof); obspower(tpwr); obspwrf(4095.0);
set_c13offset("cab"); decpower(pwClvl); decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero); delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
delay(gstab);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, gt0);
delay(gstab);
txphase(one); delay(1.0e-5);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero); decphase(zero); dec2phase(zero);
delay(2.0e-6);
/* pulse sequence starts */
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl3, gt3);
delay(lambda - gt3);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if (sel_flg[A] == 'n') txphase(three);
else txphase(one);
zgradpulse(gzlvl3, gt3);
delay(lambda - gt3);
if (sel_flg[A] == 'n')
{
rgpulse(pw, three, 0.0, 0.0);
txphase(zero);
zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */
delay(gstab);
/* Begin of N to Ca transfer */
dec2rgpulse(pwN, one, 0.0, 0.0);
decphase(zero); dec2phase(zero);
delay(tauNCo - pwCO180/2 - 2.0e-6 - WFG3_START_DELAY);
}
else /* active suppresion */
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6); dec2stepsize(45.0); dcplr2phase(v6);
zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */
delay(gstab);
/* Begin of N to Ca transfer */
dec2rgpulse(pwN,one,0.0,0.0);
dcplr2phase(zero); /* SAPS_DELAY */
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(tauNCo - pwCO180/2 - 1.34e-3 - 2.0*pw - WFG3_START_DELAY);
}
/* Begin transfer from HzNz to N(i)zC'(i-1)zCa(i)zCa(i-1)z */
c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0);
delay(tauNCa - tauNCo - pwCO180/2 - WFG3_START_DELAY -
WFG3_STOP_DELAY - 2.0e-6);
/* WFG3_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNCa - 2.0e-6 - WFG3_STOP_DELAY);
dec2rgpulse(pwN, zero, 0.0, 0.0);
/* End transfer from HzNz to N(i)zC'(i-1)zCa(i)zCa(i-1)z */
zgradpulse(gzlvl5, gt5);
delay(gstab);
/* Begin removal of Ca(i-1) */
c13pulse("co", "cab", "sinc", 90.0, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6, gt6);
delay(tauCaCo - gt6 - pwCab180 - pwCO180/2 - 6.0e-6);
c13pulse("cab","co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co","cab", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6, gt6);
delay(tauCaCo - gt6 - pwCab180 - pwCO180/2 - 6.0e-6);
c13pulse("cab","co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "cab", "sinc", 90.0, one, 2.0e-6, 2.0e-6);
/* End removal of Ca(i-1) */
/* xx Selective glycine pulse xx */
set_c13offset("gly");
setautocal();
if (autocal[A] == 'y')
{
if(FIRST_FID)
{
ppm = getval("dfrq"); bw=9*ppm;
gly90 = pbox_make("gly90","eburp1",bw,0.0,compC*pwC,pwClvl);
/* Gly selective 90 with null at 50ppm */
}
pwgly=gly90.pw; glypwr=gly90.pwr; glypwrf=gly90.pwrf;
decpwrf(glypwrf);
decpower(glypwr);
decshaped_pulse("gly90",pwgly,zero,2.0e-6,0.0);
}
else
{
decpwrf(4095.0);
decpower(glypwr);
decshaped_pulse(glyshp,pwgly,zero,2.0e-6,0.0);
}
/* xx End of glycine selecton xx */
zgradpulse(gzlvl7, gt7);
set_c13offset("cab");
delay(gstab);
decphase(t3);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3unblank();
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
/* ========== Ca to Cb transfer =========== */
c13pulse("cab", "co", "square", 90.0, t3, 2.0e-6, 2.0e-6);
decphase(zero);
delay(tauCaCb - 4.0e-6);
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
decphase(t2);
delay(tauCaCb - 4.0e-6 );
/* xxxxxxxxxxxxxxxxxxxxxx 13Cb EVOLUTION xxxxxxxxxxxxxxxxxx */
c13pulse("cab", "co", "square", 90.0, t2, 2.0e-6, 0.0); /* pwCa90 */
decphase(zero);
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwCab90/PI - WFG_START_DELAY - pwN - 2.0e-6
- PWRF_DELAY - POWER_DELAY > 0.0)
{
delay(tau1 - 2.0*pwCab90/PI - pwN - 2.0e-6 );
dec2rgpulse(2.0*pwN, zero, 2.0e-6, 0.0);
delay(tau1 - 2.0*pwCab90/PI - pwN - WFG_START_DELAY
- 2.0e-6 - PWRF_DELAY - POWER_DELAY);
}
else
{
tsadd(t12,2,4);
delay(2.0*tau1);
delay(10.0e-6); /* WFG_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t12,2,4);
delay(10.0e-6); /* WFG_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
decphase(one);
c13pulse("cab", "co", "square", 90.0, one, 2.0e-6, 0.0); /* pwCa90 */
/* xxxxxxxxxxx End of 13Cb EVOLUTION - Start 13Ca EVOLUTION xxxxxxxxxxxx */
decphase(zero);
delay(tau2);
sim3_c13pulse("", "co", "cab", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
decphase(zero);
delay(tauCaCb - 2*pwN - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY -
2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 );
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(tauCaCb- tau2 - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY
-2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6);
c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0);
decphase(t5);
c13pulse("cab", "co", "square", 90.0, t5, 2.0e-6, 0.0);
/* xxxxxxxxxxxxxxxxxxx End of 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
}
/* xxxxxxxxxxxxxxxxxxxx N15 EVOLUTION & SE TRAIN xxxxxxxxxxxxxxxxxxxxxxx */
dcplrphase(zero); dec2phase(t8);
zgradpulse(gzlvl10, gt10);
delay(gstab);
dec2rgpulse(pwN, t8, 2.0e-6, 0.0);
c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/
decphase(zero); dec2phase(t9);
delay(timeTN - pwCO180 - WFG3_START_DELAY - tau3 - 4.0e-6);
/* WFG3_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/
dec2phase(t10);
txphase(t4);
delay(timeTN - pwCO180 + tau3 - 500.0e-6 - gt1 - 2.0*GRADIENT_DELAY-
WFG_START_DELAY - WFG_STOP_DELAY );
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl11, gt11);
delay(lambda - 1.3*pwN - gt11);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl11, gt11); txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt11);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl12, gt12);
delay(lambda - 1.3*pwN - gt12);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl12, gt12);
delay(lambda - 1.3*pwN - gt12);
sim3pulse(pw, 0.0, pwN, zero, zero, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
statusdelay(C, 1.0e-4 );
setreceiver(t12);
if (dm3[B]=='y') lk_sample();
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni = getval("ni"),
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
zeta = getval("zeta"), /* zeta delay, 0.006 for 1D, 0.011 for 2D*/
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeCH = 1.1e-3, /* other delays */
timeAB = 3.3e-3,
kappa = 5.4e-3,
lambda = 2.4e-3,
csa, sna,
pra = M_PI*getval("pra")/180.0,
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab(46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Cab(46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "biocal". SLP pulse shapes, "offC7" etc are called */
/* directly from your shapelib. */
pwC7, /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC7 ("offC7") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwH, /* H1 90 degree pulse length at tpwr1 */
tpwr1, /* 9.2 kHz rf magnet for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
ncyc_dec,
waltzB1=getval("waltzB1"),
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
csa = cos(pra);
sna = sin(pra);
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
if (TROSY[A]=='y')
{settable(t8,2,phi8T);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,2,phi8);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* set zeta to 6ms for 1D spectral check, otherwise it will be the */
/* value in the dg2 parameter set (about 11ms) for 2D/13C and 3D work */
if (ni>1) zeta = zeta;
else zeta = 0.006;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = 4095.0*(compC*pwC/pwC1);
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4295 )
{ printf("increase pwClvl"); psg_abort(1);}
if(( rf2 < 4296 ) && (rf2>4095)) rf2=4095;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118m away */
pwC7 = getval("pwC7");
rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 128.0*ppm; ofs = bw;
offC1 = pbox_Rcal("square90n", bw, compC*pwC, pwClvl);
offC2 = pbox_Rcal("square180n", bw, compC*pwC, pwClvl);
bw = 118.0*ppm;
offC7 = pbox_make("offC7", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC1 = offC1.pw; rf1 = offC1.pwrf;
pwC2 = offC2.pw; rf2 = offC2.pwrf;
pwC7 = offC7.pw; rf7 = offC7.pwrf;
/* Example of semi-automatic calibration - use parameters, if they exist :
if ((autocal[0] == 's') || (autocal[1] == 's'))
{
if (find("pwC1") > 0) pwC1 = getval("pwC1");
if (find("rf1") > 0) rf1 = getval("rf1");
}
*/
}
/* power level and pulse times for DIPSI 1H decoupling */
DIPSI2time = 2.0*zeta + 2.0*timeTN - 5.4e-3 + pwC1 + 5.0*pwN + gt3 + 5.0e-5 + 2.0*GRADIENT_DELAY + 3.0*POWER_DELAY;
pwH=1.0/(4.0*waltzB1);
ncyc_dec = (DIPSI2time*90.0)/(pwH*2590.0*4.0);
ncyc_dec = (int) (ncyc_dec +0.5);
pwH = (DIPSI2time*90.0)/(ncyc_dec*2590.0*4.0); /* adjust pwH */
tpwr1 = 4095.0*(compH*pw/pwH);
tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni*1/(sw1) > timeAB - gt4 - WFG_START_DELAY - pwC7 )
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeAB - gt4 - WFG_START_DELAY - pwC7)*2.0*sw1))); psg_abort(1);}
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
if (PRexp)
{
if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);}
}
else
{
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
if(PRexp) /* set up Projection-Reconstruction experiment */
tau1 = d2*csa;
else
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
if(PRexp)
tau2 = d2*sna;
else
{
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
decphase(zero);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(one);
decphase(t3);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gt4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
decrgpulse(pwC, t3, 0.0, 0.0);
/* point a */
txphase(zero);
decphase(zero);
decpwrf(rf7);
delay(tau1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf2);
if ( pwC7 > 2.0*pwN)
{delay(timeCH - pwC7 - gt4 - WFG3_START_DELAY - 2.0*pw);}
else
{delay(timeCH - 2.0*pwN - gt4 - WFG3_START_DELAY - 2.0*pw);}
rgpulse(2.0*pw,zero,0.0,0.0);
delay(timeAB - timeCH);
decrgpulse(pwC2, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf7);
delay(timeAB - tau1 - gt4 - WFG_START_DELAY - pwC7 - 2.0e-6);
/* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
decpwrf(rf1); /* point b */
decrgpulse(pwC1, zero, 2.0e-6, 0.0);
obspwrf(tpwr1); obspower(tpwr-6); /* POWER_DELAY */
obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */
xmtron();
/* point c */
dec2phase(zero);
decpwrf(rf2);
delay(zeta - POWER_DELAY - PRG_START_DELAY);
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decpwrf(rf1);
dec2phase(t8);
delay(zeta);
/* point d */
decrgpulse(pwC1, zero, 0.0, 0.0);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl3, gt3);
if (TROSY[A]=='y') { xmtroff(); obsprgoff(); }
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
/* point e */
decpwrf(rf2);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf7);
if (TROSY[A]=='y')
{
if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
txphase(t4);
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
txphase(t4);
delay(timeTN -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > (kappa - pwC7 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(kappa -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - tau2 - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa-tau2-pwC7-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
} /* point f */
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
int t1_counter, t2_counter; /* used for states tppi in t1 & t2*/
char IPAP[MAXSTR];
double tau1, /* t1 delay */
tau2, /* t2 delay */
TC = getval("TC"), /* delay 1/(2JCACB) ~ 7.0ms in Ref. */
del = getval("del"), /* delay del = 1/(2JC'C) ~ 9.0ms in Ref. */
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 */
rf0, /* maximum fine power when using pwC pulses */
ppm,
/* 90 degree pulse at CO (174ppm) */
pwCO_90, /* 90 degree pulse length on C13 */
pwrCO_90, /*fine power */
CO_bw,
/* 180 degree pulse at CO (174ppm) */
pwCO_180, /* 180 degree pulse length at rf2 */
pwrCO_180, /* fine power */
/* 90 degree pulse at CA (57.7ppm) */
pwCA, /* 90 degree pulse on CA */
pwrCA, /* fine power */
CA_bw,
CA_ofs, /* Offset */
/* 180 degree pulse at CA (57.7ppm) */
pwCA2, /* 180 degree pulse on CA */
pwrCA2, /* fine power */
/* 90 degree pulse at CAB (44.2ppm) */
pwCAB, /* 90 degree pulse on CAB */
pwrCAB, /* fine power */
CAB_bw,
CAB_ofs, /* Offset */
/* 180 degree pulse at CAB (44.2ppm) */
pwCAB2, /* 180 degree pulse on CA */
pwrCAB2, /* fine power */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"),
gzlvl3 = getval("gzlvl3"),
gstab = getval("gstab");
getstr("IPAP",IPAP);
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,1,phi2);
settable(t3,2,phi3);
settable(t4,8,phi4);
settable(t5,16,phi5);
settable(t12,16,rec);
getelem(t5,ct,v5); assign(two,v6);
if (IPAP[0] == 'y') { add(v5,one,v5); assign(three,v6); }
setautocal(); /* activate auto-calibration */
/* INITIALIZE VARIABLES */
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t1,1,4);
if (phase2 == 2) tsadd(t2,1,4);
tau1 = d2;
tau1 = tau1/2.0;
tau2 = d3;
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(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t2,2,4); tsadd(t12,2,4); }
if (autocal[0] == 'y')
{
if (FIRST_FID)
{
ppm = getval("sfrq");
ofs_check(C13ofs);
CO_bw=80*ppm; CA_bw=100*ppm; CAB_bw=100*ppm;
CA_ofs=(57.7-C13ofs)*ppm;
CAB_ofs=(44.2-C13ofs)*ppm;
CO_90 = pbox_make("CO_90", "Q5", CO_bw, 0.0, pwC*compC, pwClvl);
CO_180 = pbox_make("CO_180", "square180r", CO_bw, 0.0, pwC*compC, pwClvl);
CA_90 = pbox_make("CA_90", "Q5", CA_bw, CA_ofs, pwC*compC, pwClvl);
CA_180 = pbox_make("CA_180", "q3", CA_bw, CA_ofs, pwC*compC, pwClvl);
CAB_90 = pbox_make("CAB_90", "Q5", CAB_bw, CAB_ofs, pwC*compC, pwClvl);
CAB_180 = pbox_make("CAB_180", "q3", CAB_bw, CAB_ofs, pwC*compC, pwClvl);
/* pbox_make creates shapes with coarse power at pwClvl and fine power is adjusted */
}
}
pwCO_90 = CO_90.pw; pwrCO_90 = CO_90.pwrf;
pwCO_180 = CO_180.pw; pwrCO_180 = CO_180.pwrf;
pwCA = CA_90.pw; pwrCA = CA_90.pwrf;
pwCA2 = CA_180.pw; pwrCA2 = CA_180.pwrf;
pwCAB = CAB_90.pw; pwrCAB = CAB_90.pwrf;
pwCAB2 = CAB_180.pw; pwrCAB2 = CAB_180.pwrf;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
obsoffset(tof);
rf0 = 4095.0;
obspower(pwClvl);
obspwrf(rf0);
status(B);
obspwrf(pwrCA);
shapedpulse("CA_90",pwCA,t1,0.0,0.0);
delay(tau1);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
obspwrf(pwrCA2);
delay(TC/2);
shapedpulse("CA_180",pwCA2,zero,0.0,0.0);
delay(TC/2 - tau1);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
obspwrf(pwrCA);
shapedpulse("CA_90",pwCA,one,0.0,0.0);
delay(TC/2+tau2-gstab-gt1);
zgradpulse(gzlvl1,gt1);
delay(gstab);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
obspwrf(pwrCA2);
shapedpulse("CA_180",pwCA2,zero,0.0,0.0);
delay(TC/2-tau2-gt1-gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
obspwrf(pwrCAB);
shapedpulse("CAB_90",pwCAB,t2,0.0,0.0);
zgradpulse(gzlvl2,gt2);
delay(gstab);
obspwrf(pwrCO_90);
shapedpulse("CO_90",pwCO_90,t3,0.0,0.0);
if (IPAP[0] == 'y')
{
delay(del/2);
obspwrf(pwrCAB2);
shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,t4,0.0,0.0);
delay(del/2);
}
else
{
delay(del/4);
obspwrf(pwrCAB2);
shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0);
delay(del/4);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,t4,0.0,0.0);
delay(del/4);
obspwrf(pwrCAB2);
shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0);
delay(del/4);
}
obspwrf(pwrCO_90);
shapedpulse("CO_90",pwCO_90,v5,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
shapedpulse("CO_90",pwCO_90,v6,0.0,rof2);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,rof2);
status(C);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char sel_flg[MAXSTR], autocal[MAXSTR],
glyshp[MAXSTR];
int t1_counter, /* used for states tppi in t1 */
ni = getval("ni");
double d2_init=0.0, /* used for states tppi in t1 */
tau1,
tau2,
tau3,
glypwr,glypwrf, /* Power levels for Cgly selective 90 */
pwgly, /* Pulse width for Cgly selective 90 */
bw,ppm, /* Used for autocal Cgly selective 90*/
tauCC = getval("tauCC"), /* delay for Ca to Cb cosy */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
waltzB1 = getval("waltzB1"),
pwC = getval("pwC"), /* C13 pulse at pwClvl */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
compC = getval("compC"), /* correction for amplifier compression*/
pwCa180,
pwCO180,
pwCab90,
pwCab180,
pwS1, /* length of square 90 on Cab */
phshift = getval("phshift"), /* phase shift on Cab by 180 on CO in t1 */
pwS2, /* length of 180 on CO */
pwS3,
pwS = getval("pwS"), /*used to change 180 on CO in t1 for 1D calibration */
pwZ, /* the largest of pwS2 and 2.0*pwN */
pwZ1, /* the largest of pwS2 and 2.0*pwN for 1D experiments */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
swCb = getval("swCb"),
swCa = getval("swCa"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_Ca, cos_Cb,
angle_N, angle_Ca, angle_Cb, /* angle_N is calculated automatically */
gstab = getval("gstab"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8");
angle_N=0.0;
/* Load variables */
glypwrf = getval("glypwrf");
glypwr = getval("glypwr");
pwgly = getval("pwgly");
tau1 = 0; tau2 = 0; tau3 = 0;
cos_N = 0; cos_Ca = 0; cos_Cb = 0;
getstr("autocal", autocal);
getstr("glyshp", glyshp);
getstr("sel_flg",sel_flg);
/* LOAD PHASE TABLE */
settable(t2,1,phy); settable(t3,2,phi3);
settable(t5,4,phi5); settable(t6,8,phi6);
settable(t8,1,phy); settable(t9,1,phx); settable(t10,1,phx);
settable(t11,1,phx); settable(t12,8,recT);
/* INITIALIZE VARIABLES */
lambda = 2.4e-3;
pwCa180=c13pulsepw("ca", "co", "square", 180.0);
pwCO180=c13pulsepw("co", "ca", "sinc", 180.0);
pwCab90=c13pulsepw("cab","co","square",90.0);
pwCab180=c13pulsepw("cab","co","square",180.0);
pwHs = 1.7e-3*500.0/sfrq; /* length of H2O flipback, 1.7ms at 500 MHz*/
widthHd = 2.861*(waltzB1/sfrq); /* bw of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "cab", "sinc", 180.0);
pwS3 = c13pulsepw("cab", "co", "square", 180.0);
/* 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;
/* CHECK VALIDITY OF PARAMETER RANGES */
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' || dm3[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 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_Cb=getval("angle_Cb"); cos_Cb=cos(PI*angle_Cb/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_Cb < 0) || (angle_Cb > 90) )
{ printf ("angle_Cb 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_Cb*cos_Cb + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_Cb*cos_Cb + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCb*cos_Cb + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
if ( 0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);}
if ( (0.5*ni*cos_Ca/swTilt) > (tauCC - pwCO180 - pwCab180/2 - WFG2_START_DELAY -
2.0*PWRF_DELAY - 2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6))
{ printf (" ni is too big. Make ni equal to %d or less. \n",
(int) ((tauCC - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY
-2.0*POWER_DELAY - WFG2_STOP_DELAY -14.0e-6)/(0.5*cos_Ca/swTilt)));
psg_abort(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_Cb:\t%6.2f\n", angle_Cb);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t3,3,4); tsadd(t2,3,4);} /* SC */
else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t3,3,4); tsadd(t2,3,4); tsadd(t5,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Cb/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
obsoffset(tof); obspower(tpwr); obspwrf(4095.0);
set_c13offset("cab"); decpower(pwClvl); decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one); delay(1.0e-5);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero); decphase(zero); dec2phase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx HN to N to Ca TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl3, gt3); /* G3 */
delay(lambda - gt3);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if (sel_flg[A] == 'n') txphase(three);
else txphase(one);
zgradpulse(gzlvl3, gt3); /* G3 */
delay(lambda - gt3);
if (sel_flg[A] == 'n')
{
rgpulse(pw, three, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */
delay(gstab);
/* Begin of N to Ca transfer */
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(timeTN - WFG3_START_DELAY);
}
else /* active suppresion */
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6); dec2stepsize(45.0); dcplr2phase(v6);
zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */
delay(gstab);
/* Begin of N to Ca transfer */
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); /* SAPS_DELAY */
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(timeTN -1.34e-3 - 2.0*pw - WFG3_START_DELAY);
}
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
dec2phase(one);
delay(timeTN);
dec2rgpulse(pwN, one, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxxxx END of N to CA TRANSFER xxxxxxxxxxxxxxxxxxxx */
setautocal();
set_c13offset("gly");
if (autocal[A] == 'n')
{
decpower(glypwr);
decpwrf(4095.0);
decphase(zero);
decshaped_pulse(glyshp,pwgly,zero,2.0e-6,0.0);
}
else
{
if(FIRST_FID)
{
ppm = getval("dfrq"); bw=9*ppm;
gly90 = pbox_make("gly90","eburp1",bw,0.0,compC*pwC,pwClvl);
/* Gly selective 90 with null at 50ppm */
}
pwgly=gly90.pw; glypwr=gly90.pwr; glypwrf=gly90.pwrf;
decpwrf(glypwrf);
decpower(glypwr);
decshaped_pulse("gly90",pwgly,zero,2.0e-6,0.0);
}
zgradpulse(gzlvl5, gt5); /* Crush gradient G5 */
set_c13offset("cab");
decphase(t3);
delay(gstab);
if (dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
/* xxxxxxxxxxxxxxxxxxxxxx 13CA to 13CB TRANSFER xxxxxxxxxxxxxxxxxx */
c13pulse("cab", "co", "square", 90.0, t3, 2.0e-6, 0.0);
decphase(zero);
delay(tauCC);
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0);
decphase(t2);
delay(tauCC - POWER_DELAY - PWRF_DELAY - PRG_START_DELAY);
/* xxxxxxxxxxxxxxxxxxxxxx 13CB EVOLUTION xxxxxxxxxxxxxxxxxx */
c13pulse("cab", "co", "square", 90.0, t2, 2.0e-6, 0.0); /* pwS1 */
decphase(zero);
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwCab90/PI - WFG_START_DELAY - pwN - 2.0e-6
- PWRF_DELAY - POWER_DELAY > 0.0)
{
delay(tau1 - 2.0*pwCab90/PI - pwN - 2.0e-6 );
dec2rgpulse(2.0*pwN, zero, 2.0e-6, 0.0);
delay(tau1 - 2.0*pwS1/PI - pwN - WFG_START_DELAY
- 2.0e-6 - PWRF_DELAY - POWER_DELAY);
}
else
{
tsadd(t12,2,4);
delay(2.0*tau1);
delay(10.0e-6); /* WFG_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t12,2,4);
delay(10.0e-6); /* WFG_START_DELAY */
sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
decphase(t6);
c13pulse("cab", "co", "square", 90.0, t6, 2.0e-6, 0.0); /* pwS1 */
/* xxxxxxxxxxxx 13CB to 13CA BACK TRANSFER - CA EVOLUTION xxxxxxxxxxxxxx */
decphase(zero);
delay(tau2);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
decphase(zero);
delay(tauCC- 2*pwN - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY -
2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 );
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0);
delay(tauCC - tau2 - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY
-2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 );
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
decphase(t5);
c13pulse("cab", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* pwS1 */
/* xxxxxxxxxxx END of 13CB to 13CA BACK TRANSFER - CA EVOLUTION xxxxxxxxxxxx */
if (dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
}
dec2phase(t8);
zgradpulse(gzlvl6, gt6); /* Crush gradient G6 */
delay(gstab);
/* xxxxxxxxxxxxxxxx 13CA to 15N BACK TRANSFER - 15N EVOLUTION xxxxxxxxxxxxxx */
dec2rgpulse(pwN, t8, 2.0e-6, 2.0e-6);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau3);
/* WFG3_START_DELAY */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
dec2phase(t10);
delay (timeTN - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab - POWER_DELAY - PWRF_DELAY);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/
delay(tau3);
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0); /* t4??*/
zgradpulse(gzlvl7, gt7); /* G7 */
txphase(zero);
dec2phase(zero);
delay (lambda - 1.3*pwN - gt7);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl7, gt7); /* G7 */
txphase(one);
dec2phase(one);
delay (lambda - 1.3*pwN - gt7);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
zgradpulse(gzlvl8, gt8); /* G8 */
txphase(zero);
dec2phase(zero);
delay (lambda - 1.3*pwN - gt8);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl8, gt8); /* G8 */
delay (lambda - 1.3*pwN - gt8);
sim3pulse(pw, 0.0, pwN, zero, zero, zero, 0.0, 0.0);
dec2power(dpwr2); decpower(dpwr);
delay ( (gt1/10.0) + 1.0e-4 + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
statusdelay(C, 1.0e-4);
setreceiver(t12);
if (dm3[B] == 'y') lk_sample();
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
int t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
TC = getval("TC"), /* delay 1/(2JC'C) ~ 9.1 ms */
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 */
rf0, /* maximum fine power when using pwC pulses */
ppm,
/* 90 degree pulse at CO (174ppm) */
pwCO_90, /* 90 degree pulse length on C13 */
pwrCO_90, /*fine power */
CO_bw,
/* 180 degree pulse at CO (174ppm) */
pwCO_180, /* 180 degree pulse length at rf2 */
pwrCO_180, /* fine power */
/* 90 degree pulse at C-aliph (35ppm) */
pwCaliph1, /* 90 degree pulse on C-aliphatic */
pwrCaliph1, /* fine power */
CA_bw,
CA_ofs, /* fine power */
/* 180 degree pulse at C-aliph (35ppm) */
pwCaliph2, /* 180 degree pulse on C-aliphatic */
pwrCaliph2, /* fine power */
sw1 = getval("sw1"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gstab = getval("gstab");
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t12,4,rec);
setautocal(); /* activate auto-calibration */
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t2,1,4);
tau1 = d2;
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(t12,2,4); }
if (autocal[0] == 'y')
{
if (FIRST_FID)
{
ppm = getval("sfrq");
ofs_check(C13ofs);
CO_bw=80*ppm; CA_bw=100*ppm;
CA_ofs=(35-C13ofs)*ppm;
CO_90 = pbox_make("CO_90", "Q5", CO_bw, 0.0, pwC*compC, pwClvl);
CO_180 = pbox_make("CO_180", "square180r", CO_bw, 0.0, pwC*compC, pwClvl);
CA_90 = pbox_make("CA_90", "Q5", CA_bw, CA_ofs, pwC*compC, pwClvl);
CA_180 = pbox_make("CA_180", "square180r", CA_bw, CA_ofs, pwC*compC, pwClvl);
/* pbox_make creates shapes with coarse power at pwClvl and fine power is adjusted */
}
}
pwCO_90 = CO_90.pw; pwrCO_90 = CO_90.pwrf;
pwCO_180 = CO_180.pw; pwrCO_180 = CO_180.pwrf;
pwCaliph1 = CA_90.pw; pwrCaliph1 = CA_90.pwrf;
pwCaliph2 = CA_180.pw; pwrCaliph2 = CA_180.pwrf;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
obsoffset(tof);
rf0 = 4095.0;
obspower(pwClvl);
obspwrf(rf0);
status(B);
obspwrf(pwrCO_90);
shapedpulse("CO_90",pwCO_90,zero,0.0,0.0);
zgradpulse(gzlvl1,gt1);
delay(TC/2.0-gt1);
obspwrf(pwrCO_180);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
obspwrf(pwrCaliph2);
shapedpulse("CA_180",pwCaliph2,zero,0.0,0.0);
zgradpulse(gzlvl1,gt1);
delay(TC/2.0-gt1);
obspwrf(pwrCaliph1);
shapedpulse("CA_90",pwCaliph1,t2,0.0,0.0);
if (tau1 < pwCO_180)
{
obspwrf(pwrCO_180);
delay(tau1);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
delay(tau1);
}
else
{
obspwrf(pwrCO_180);
delay(tau1-pwCO_180/2.0);
shapedpulse("CO_180",pwCO_180,zero,0.0,0.0);
delay(tau1-pwCO_180/2.0);
}
obspwrf(pwrCaliph1);
shapedpulse("CA_90",pwCaliph1,t3,0.0,0.0);
obspwrf(pwrCO_90);
shapedpulse("CO_90",pwCO_90,t1,0.0,0.0);
zgradpulse(gzlvl2*0.8,gt2);
delay(gstab);
obspwrf(pwrCO_90);
shapedpulse("CO_90",pwCO_90,t1,0.0,rof2);
obspwrf(pwrCO_180); /* added for cold probe */
shapedpulse("CO_180",pwCO_180,zero,0.0,rof2);
status(C);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* 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 fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ch_plane[MAXSTR]; /* Flag to start t2 @ halfdwell */
int phase, phase2, ni, ni2, ncyc,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
taub, /* = 1/4JCH or 1/8JCH for editing */
TC, /* ~ 1/2JCaCo = 9 ms */
pw_ml, /* PW90 for mlev 1H decoupling */
pwN, /* PW90 for 15N pulse */
pwC, /* PW90 hard 13C pulse */
pwc90, /* PW90 for Ca or Co nucleus */
pw_dip, /* PW90 for Ca or Co nucleus */
pwreb180, /* PW180 for reburp */
pwcon180, /* PW for Ca or Co on-res 180 */
pwcoff180, /* PW for Ca or Co off-res 180 */
satpwr, /* low level 1H trans.power for presat */
tpwrml, /* power for 1H decoupling */
pwClvl, /* power level for 13C pulses on dec1 - 64 us
90 for part a of the sequence */
compH, /* compression factor */
compC, /* compression factor */
waltzB1, /* power level for proton decoupling */
d_c90, /* power level for Ca or Co 90 pulse */
d_c180, /* power level for Ca or Co 180 pulse */
d_coff180, /* power level for shifted 180 */
d_reb, /* power level for reburp 180 pulse */
dpwr_dip, /* power level for reburp 180 pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
dof_coca, /* offset between Co and Ca for comp180 */
bw,ofs,ppm, /* temporary Pbox parameters */
zeta,
zeta1,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("fscuba",fscuba);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("ch_plane",ch_plane);
taua = getval("taua");
taub = getval("taub");
TC = getval("TC");
pwc90 = getval("pwc90");
pwN = getval("pwN");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
waltzB1 = getval("waltzB1");
tpwr = getval("tpwr");
satpwr = getval("satpwr");
d_c180 = getval("d_c180");
d_reb = getval("d_reb");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
ncyc = getval("ncyc");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,4,phi2);
settable(t3,2,phi3);
settable(t4,16,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
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( pwNlvl > 63 )
{
printf("don't fry the probe, DHPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( 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( ncyc > 9 )
{
printf("dont fry the probe, ncyc must be <= 9\n");
psg_abort(1);
}
if( gt0 > 10.0e-3 || gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt3 >10.0e-3 ||
gt4 > 10.0e-3 || gt5 > 10.0e-3 || gt6 > 10.0e-3 || gt7 > 10.0e-3 )
{
printf("gt values are too long. Must be < 10.0e-3\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D & 3D data */
if (phase == 2)
tsadd(t3,1,4);
if (phase2 == 2)
tsadd(t5,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += 1.0 / (2.0*sw1) - 4.0*pwC - 4.0*2.0e-6 - 2.0*(2.0/PI)*pwN ;
if(tau1 < 0.4e-6) {
tau1 = 0.4e-6;
printf("tau1 is negative; decrease sw1 for proper phasing \n");
}
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2));
}
tau2 = tau2 / 2.0;
/* Calculate modifications to phases for States-TPPI acquisition in t1 & t2 */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t3,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t6,2,4);
}
pwc90 = 1/(4.0 * (4700*(dfrq/150))) ; /* 4.7kHz at 150 MHz 13C */
d_c90 = pwClvl - 20.0*log10(pwc90/(compC*pwC));
d_c90 = (int) (d_c90 + 0.5);
pwcon180 = 1/(4.0 * (10900*(dfrq/150))) ; /* 10.9kHz at 150 MHz 13C */ d_c180 = pwClvl - 20.0*log10(pwcon180/(compC*pwC));
d_c180 = (int) (d_c180 + 0.5);
/* Now include the Bax/Logan trick (shared time evolution in 13C) */
if(ni2 != 1)
zeta = (taub/2.0 + 2*pw) / ( (double)(ni2-1) );
else
zeta = 0.0;
zeta1 = zeta*( (double)t2_counter );
if (FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 132.0*ppm; ofs = bw; /* carrier at 42ppm, inversion at 174ppm */
spco180 = pbox_make("spco180","square180n", bw, ofs, compC*pwC, pwClvl);
spreb180 = pbox_make("spreb180","reburp", 20*dfrq, -4*dfrq, compC*pwC, pwClvl);
}
pwcoff180=spco180.pw; d_coff180=spco180.pwrf;
pwreb180=spreb180.pw; d_reb=spreb180.pwrf;
if (0.5*TC - 0.5*(ni2-1)/sw2 - pwcon180/2.0 - 2.0e-6 - pwcoff180 -2.0*2.0e-6 \
- WFG_START_DELAY - WFG_STOP_DELAY - POWER_DELAY < 0.4e-6) {
printf("ni2 too large !\n");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dof);
dec2offset(dof2);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
delay(20.0e-6);
decrgpulse(pwC,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(taua - gt1); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
zgradpulse(gzlvl1,gt1);
delay(taua - gt1 ); /* taua <= 1/4JCH */
rgpulse(pw,t1,0.0,0.0);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t5,2.0e-6,0.0);
txphase(zero); decphase(zero);
delay(tau2);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(taub/2.0 - 2*pwN);
rgpulse(2*pw,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(tau2 - zeta1);
decrgpulse(2.0*pwC,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(taub/2.0 - zeta1 + 2*pw);
decrgpulse(pwC,one,0.0,2.0e-6);
zgradpulse(gzlvl6,gt6/1.7);
delay(gstab);
pw_dip = 1/(4.0 * (6700*(dfrq/150))) ; /* 6.7kHz at 150 MHz 13C */
dpwr_dip = pwClvl - 20.0*log10(pw_dip/(compC*pwC));
dpwr_dip = (int) (dpwr_dip + 0.5);
decpower(dpwr_dip);
if( (float) ncyc > 0.1) {
decspinlock("FLOPSY8",pw_dip,1.0,zero,ncyc);
}
decphase(one);
decpower(d_c90);
zgradpulse(gzlvl6,gt6);
delay(gstab);
pw_ml = 1/(4.0 * waltzB1) ;
tpwrml = tpwr - 20.0*log10(pw_ml/(compH*pw));
tpwrml = (int) (tpwrml + 0.5);
obspower(tpwrml);
/* H decoupling on */
rgpulse(pw_ml,one,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16",pw_ml,90.0);
xmtron();
/* Cz */
decrgpulse(pwc90,one,0.0,2.0e-6);
decpower(d_c180);
delay(0.5*TC - 2.0e-6 - POWER_DELAY - 2.0*pwN - 2.0e-6);
dec2rgpulse(2.0*pwN,zero,0.0,2.0e-6);
decrgpulse(pwcon180,zero,0.0,0.0);
delay(0.5*TC - POWER_DELAY );
decphase(t2);
decpower(d_c90);
decrgpulse(pwc90,t2,0.0,0.0);
/* CzNz */
/* H decoupling off */
xmtroff();
obsprgoff();
rgpulse(pw_ml,three,2.0e-6,2.0e-6);
zgradpulse(gzlvl4,gt4);
dec2phase(t3);
delay(gstab);
decpower(pwClvl);
dof_coca=dof+(110-42)*dfrq;
decoffset(dof_coca); /* move C carrier for comp180 */
decphase(one);
/* H decoupling on */
obspower(tpwrml);
rgpulse(pw_ml,one,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16",pw_ml,90.0);
xmtron();
/* N evolution */
dec2rgpulse(pwN,t3, 0.0, 2.0e-6);
if(ch_plane[0] == 'y')
{
dec2phase(zero);
delay(0.2e-6);
}
else {
delay(tau1);
decrgpulse(pwC, one, 0.0, 0.0);
decrgpulse(2.0*pwC, zero, 2.0e-6, 2.0e-6);
decrgpulse(pwC, one, 0.0, 0.0);
delay(tau1);
}
dec2rgpulse(pwN, zero, 2.0e-6, 0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
rgpulse(pw_ml,three,2.0e-6,2.0e-6);
obspower(tpwr);
decpower(d_c90);
decoffset(dof); /* move back C carrier */
decphase(t5);
/* clean-up before proceeding */
zgradpulse(gzlvl5,gt5);
delay(gstab);
decrgpulse(pwc90,zero,0.0,0.0);
/* refocus Ca-N and Ca-H couplings */
delay(0.5*TC - pwcon180/2.0 - pwcoff180 \
- WFG_START_DELAY - WFG_STOP_DELAY - POWER_DELAY );
decphase(zero);
decpower(pwClvl); decpwrf(d_coff180);
simshaped_pulse("","spco180",2.0*pw,pwcoff180,zero,zero,0.0e-6,0.0e-6); /* Bloch siegert correction */
decphase(zero); decpower(d_c180); decpwrf(4095.0);
decrgpulse(pwcon180,t4,0.0e-6,0.0e-6);
decpwrf(d_coff180); decpower(pwClvl);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse("spco180", pwcoff180, zero, 0.0e-6, 0.0e-6);
delay(taub/2.0);
rgpulse(2.0*pw,zero,0.0,0.0);
decpower(d_c90); decpwrf(4095.0);
decphase(zero);
delay(0.5*TC - taub/2.0 - 2.0*pw -pwcon180/2 - 2.0*pwN - pwcoff180 \
- WFG_START_DELAY - WFG_STOP_DELAY \
- 2.0*POWER_DELAY);
decrgpulse(pwc90,zero,0.0,0.0);
zgradpulse(gzlvl7,gt7);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl8,gt8);
txphase(zero);
dec2phase(zero);
decpwrf(d_reb); decpower(pwClvl);
delay(taua - 2.0*POWER_DELAY - gt8 - 0.5*pwreb180 );
simshaped_pulse("","spreb180",2.0*pw,pwreb180,zero,zero,0.0e-6,0.0e-6); /* Purge all C outside 26-46 ppm */
zgradpulse(gzlvl8,gt8);
decphase(zero);
dec2power(dpwr2); /* set power for 15N decoupling */
decpower(dpwr); /* set power for 13C decoupling */
decpwrf(4095.0);
delay(taua - 0.5*pwreb180 - gt8 - 3.0*POWER_DELAY);
rgpulse(pw,zero,0.0,0.0);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ fulldwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
bw, ofs, ppm,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
decstep1,
decstep2,
decstep3,
tpwrs,
pwHs,
dof_me, rfrb_cg, rfrb_co, pwrb_co, pwrb_cg,
tof_dtt,
rfca90,
pwca90,
rfca180,
pwca180,
pwco90,
dofCO;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gstab = getval("gstab");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
decstep1 = getval("decstep1");
decstep2 = getval("decstep2");
decstep3 = getval("decstep3");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
tof_dtt = getval("tof_dtt");
dofCO = getval("dofCO");
tpwrs = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 60*ppm; ofs = 136.0*ppm;
rb180_co = pbox_make("rb180_coP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = -118.0*ppm;
ca180 = pbox_make("ca180P", "square180n", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = 18.0*ppm;
ca90 = pbox_make("ca90P", "square90n", bw, ofs, compC*pwC, pwClvl);
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
pwrb_co = rb180_co.pw; rfrb_co = rb180_co.pwrf; /* set up parameters */
pwca90 = ca90.pw; rfca90 = ca90.pwrf; /* set up parameters */
pwca180 = ca180.pw; rfca180 = ca180.pwrf; /* set up parameters */
pwco90 = pwca90;
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t6,16,phi6);
settable(t7,8,phi7);
settable(t8,8,phi8);
settable(t9,8,phi9);
settable(t10,1,phi10);
settable(t11,8,phi11);
settable(t12,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 9 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 || gt5 > 5.0e-3 || gt6 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t11,1,4);
}
if (phase2 == 2)
tsadd(t10,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 4.0/PI*pwco90 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwca180 - WFG_STOP_DELAY - POWER_DELAY - 2.0*pwN;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t11,2,4);
tsadd(t12,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t10,2,4);
tsadd(t12,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to high power */
/* Presaturation Period */
if (satmode[A] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
decoffset(dof_me);
lk_hold(); lk_sampling_off();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab -2.0e-6 );
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - 4.0e-6 - 1/dmf3
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decpwrf(rfrb_co); decphase(zero);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(rfrb);
delay(taub - (2.0/PI)*pwC - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep2);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero); decpwrf(rfrb_co);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0);
decphase(t5);
decpwrf(rfca90);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY
- WFG_START_DELAY - (2.0/PI)*pwca90);
decshaped_pulse(ca90.name,pwca90,t5,0.0,0.0);
decoffset(dofCO);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
/* 2H decoupling off */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decrgpulse(pwco90,t11,4.0e-6,0.0);
if(C_flg[A] == 'n') {
decpwrf(rfca180);
delay(tau1);
decshaped_pulse(ca180.name,pwca180,zero,4.0e-6,0.0);
decpwrf(rfca90); decphase(zero);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau1);
}
else
decrgpulse(2.0*pwco90,zero,4.0e-6,4.0e-6);
decrgpulse(pwco90,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
/* turn on 2H decoupling */
dec3phase(one);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
decoffset(dof);
decpwrf(rfca90);
decshaped_pulse(ca90.name,pwca90,t6,4.0e-6,0.0);
decpwrf(rfrb_co); decphase(zero);
delay(taub - WFG_STOP_DELAY - (2.0/PI)*pwca90 - POWER_DELAY - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
decshaped_pulse(rb180_co.name,pwrb_co,zero,0.0,0.0);
decpwrf(rfrb);
initval(1.0,v3);
decstepsize(decstep3);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_co);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- (2.0/PI)*pwC);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(4095.0);
decrgpulse(pwC,t7,4.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t8);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t8,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t9);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - 1/dmf3);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
lk_autotrig();
/* 2H decoupling off */
decrgpulse(pwC,t9,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t10);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t10,4.0e-6,0.0);
decoffset(dof_me);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 - gstab -2.0e-6
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6 - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* BEGIN ACQUISITION */
lk_sample();
status(C);
setreceiver(t12);
}
pulsesequence()
{
char
f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR], /* y for magic angle, n for z-gradient only */
ref_flg[MAXSTR]; /* yes for recording reference spectrum */
int
icosel,
phase,
ni2,
t1_counter,
t2_counter;
double
gzcal = getval("gzcal"),
tau1,
tau2,
taua, /* ~ 1/4JNH = 2.3-2.7 ms] */
taub, /* ~ 2.75 ms */
bigT, /* ~ 12 ms */
bigTCO, /* ~ 25 ms */
bigTN, /* ~ 12 ms */
pwClvl, /* High power level for carbon on channel 2 */
pwC, /* C13 90 degree pulse length at pwClvl */
compC, /* Compression factor for C13 on channel 2 */
pwCa180, /* 180 degree pulse length for Ca */
pwCab180,
pwCO180,
pwNlvl, /* Power level for Nitrogen on channel 3 */
pwN, /* N15 90 degree pulse lenght at pwNlvl */
maxcan, /* The larger of 2.0*pwN and pwCa180 */
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
dpwrfC = 4095.0,
dfCa180,
dfCab180,
dfCO180,
gt1,
gt3,
gt2,
gt0,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl0,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg", mag_flg);
getstr("ref_flg", ref_flg);
taua = getval("taua");
taub = getval("taub");
bigT = getval("bigT");
bigTCO = getval("bigTCO");
bigTN = getval("bigTN");
pwClvl = getval("pwClvl");
pwC = getval("pwC");
compC = getval("compC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
pwCa180 = getval("pwCa180");
pwCab180 = getval("pwCab180");
pwCO180 = getval("pwCO180");
dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/
dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/
dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */
dfCa180 = (int) (dfCa180 + 0.5);
dfCO180 = (int) (dfCO180 + 0.5);
dfCab180 = (int) (dfCab180 +0.5);
}
else
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm;
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 128.0*ppm; ofs = -128.0*ppm;
offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
dfCO180 = offC8.pwrf; pwCO180 = offC8.pw;
dfCa180 = offC17.pwrf; pwCa180 = offC17.pw;
dfCab180 = offC27.pwrf; pwCab180 = offC27.pw;
}
maxcan = 2.0*pwN;
if (pwCa180 > maxcan) maxcan = pwCa180;
dpwr = getval("dpwr");
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");
gt0 = getval("gt0");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gstab = getval("gstab");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl5 = getval("gzlvl5");
gzlvl0 = getval("gzlvl0");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,16,phi4);
settable(t5, 1, phi5);
settable(t10,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((ref_flg[A] == 'y') && (dps_flag))
{
printf("ref_flg=y: for 2D HN-CO or 3D HNCO reference spectrum without CO-HB coupling.\n");
}
if(ni2/sw2 > 2.0*(bigTN))
{
printf(" ni2 is too big, should < %f\n", 2.0*sw2*(bigTN));
}
if((ni/sw1 > 2.0*(bigTCO - gt6 - maxcan))&&(ref_flg[A] == 'y'))
{
printf("ni is too big, should < %f\n", 2.0*sw1*(bigTCO-gt6-maxcan));
}
if(( dpwr > 50 ) || (dpwr2 > 50))
{
printf("don't fry the probe, either dpwr or dpwr2 is too large! ");
psg_abort(1);
}
if((gt1 > 5.0e-3) ||(gt2>5e-3)||(gt3>5e-3)|| (gt0 > 5.0e-3))
{
printf("The length of gradients are too long\n");
psg_abort(1);
}
if((taub - 2.0*pw - gt8 - 1.0e-3 - 6.0*GRADIENT_DELAY)<0.0)
{
printf("Shorten gt8 so that preceding delay is not negative\n");
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)
{
if(ref_flg[A] == 'y') tsadd(t1,3,4);
else tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 half_dwell time (1/sw1)/2.0 */
if (ref_flg[A] == 'y') tau1 = d2;
else tau1 = d2 - (4.0*pw/PI);
if(f1180[A] == 'y')
{
tau1 += (1.0/(2.0*sw1));
}
if(tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/4.0;
/* 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);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(dpwrfC);
dec2power(pwNlvl);
txphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.2e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(0.001);
rcvroff();
status(B);
rgpulse(pw, zero, 1.0e-5, 1.0e-6);
delay(2.0e-6);
zgradpulse(0.8*gzlvl0,gt0);
delay(taua - gt0 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0,2.0*pwN,zero,zero,zero, 1.0e-6, 1.0e-6);
delay(taua - gt0 - 500.0e-6);
zgradpulse(0.8*gzlvl0,gt0);
txphase(one);
delay(500.0e-6);
rgpulse(pw, one, 1.0e-6, 1.0e-6);
delay(2.0e-6);
zgradpulse(1.3*gzlvl3, gt3);
decpwrf(dfCO180);
txphase(zero);
delay(200.0e-6);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl0, gt0);
delay(taub - gt0 - 2.0*pw - 2.0e-6);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(bigT - taub - WFG3_START_DELAY);
sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,zero,0.0,0.0);
delay(bigT - gt0 - WFG3_STOP_DELAY - 1.0e-3);
zgradpulse(gzlvl0, gt0);
delay(1.0e-3);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl9, gt9);
decpwrf(dpwrfC);
decphase(t3);
delay(200.0e-6);
if(ref_flg[A] != 'y')
{
decrgpulse(pwC, t3, 0.0, 0.0);
delay(2.0e-6);
if(gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCO180);
txphase(t1);
delay(bigTCO - gt6 - 2.0e-6);
rgpulse(pw, t1, 0.0, 0.0);
if(tau1 >(pwCab180/2.0 + WFG_START_DELAY +WFG_STOP_DELAY+ POWER_DELAY + pwCO180/2.0))
{
decpwrf(dfCab180);
delay(tau1 - pwCab180/2.0 - WFG_START_DELAY - POWER_DELAY);
decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0);
decpwrf(dfCO180);
delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfCab180);
delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY);
decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0);
txphase(zero);
delay(tau1 - pwCab180/2.0 - WFG_STOP_DELAY);
}
else
{
delay(2.0*tau1);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
txphase(zero);
delay(2.0*tau1);
}
rgpulse(pw, zero, 0.0, 0.0);
delay(bigTCO - gt6 - POWER_DELAY - 1.0e-3);
if (gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dpwrfC);
delay(1.0e-3);
decrgpulse(pwC, zero, 0.0, 0.0);
}
else
{
decrgpulse(pwC, t3, 0.0, 0.0);
decpwrf(dfCa180);
sim3shaped_pulse("","offC17","",0.0e-6,pwCa180,0.0e-6,zero,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
if(gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCO180);
delay(bigTCO - 2.0*tau1 - maxcan - gt6 - 2.0*POWER_DELAY - 4.0e-6);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
delay(bigTCO - gt6 - maxcan - 2.0*POWER_DELAY - 1.0e-3);
if (gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCa180);
delay(1.0e-3);
sim3shaped_pulse("","offC17","",2.0*pw,pwCa180,2.0*pwN,zero,zero,zero,0.0,0.0);
decpwrf(dpwrfC);
delay(2.0*tau1);
decrgpulse(pwC, t1, 2.0e-6, 0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl7, gt7);
decpwrf(dfCO180);
dec2phase(t2);
delay(200.0e-6);
dec2rgpulse(pwN, t2, 0.0, 0.0);
delay(bigTN - tau2);
dec2phase(t4);
sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,t4,0.0,0.0);
decpwrf(dfCa180);
delay(bigTN - taub - WFG_STOP_DELAY - POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(taub - 2.0*pw - gt1 - 1.0e-3 - 6.0*GRADIENT_DELAY);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(4.0*GRADIENT_DELAY);
}
dec2phase(t5);
delay(1.0e-3);
decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0);
delay(tau2);
sim3pulse(pw,(double)0.0, pwN, zero,zero, t5, 0.0, 0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
delay(taua - gt5 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taua - gt5 - 500.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
txphase(one);
decphase(one);
delay(500.0e-6);
sim3pulse(pw,(double)0.0, pwN, one,zero, one, 0.0, 0.0);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(taua - gt5 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taua - gt5 - 2.0*POWER_DELAY - 500.0e-6);
zgradpulse(gzlvl5, gt5);
decpower(dpwr);
dec2power(dpwr2);
delay(500.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(1.0e-4 +gstab + gt1/10.0 - 0.5*pw + 6.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.0e-6);
if(mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
delay(4.0*GRADIENT_DELAY);
}
delay(1.0e-4 - 2.0e-6);
statusdelay(C,1.0e-4);
setreceiver(t10);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
shape offC10P;
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mixpat[MAXSTR], /* Spinlock waveform */
H2Opurge[MAXSTR], stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int ncyc, t1_counter, /* used for states tppi in t1 */
first_FID, t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
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 */
/* the following pulse length for the SLP pulse is automatically calculated */
/* by the macro "hcch_tocsyP". The SLP pulse shape,"offC10P" is created */
/* by Pbox "on-the-fly" */
pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC10 ("offC10P") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
mixpwr = getval("mixpwr"), mixpwrf = getval("mixpwrf"), mixdmf = getval("mixdmf"),
pwmix = getval("pwmix"), mixres = getval("mixres"),
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");
if ((getval("arraydim") < 1.5) || (ix == 1))
first_FID = 1;
else
first_FID = 0;
getstr("mixpat", mixpat);
getstr("f1180", f1180);
getstr("f2180", f2180);
getstr("H2Opurge", H2Opurge);
getstr("STUD", STUD);
if (first_FID) /* calculate the shape only once */
{
rf7 = 1.0e-6 * 80.5 * 600.0 / sfrq;
offC10P = pbox_make("offC10P", "sinc180", rf7, 139.0 * dfrq, pwClvl, compC * pwC);
}
else
offC10P = getRsh("offC10P");
pwC10 = offC10P.pw;
rf7 = offC10P.pwrf;
/* 80 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec80");
studlvl = pwClvl + 20.0 * log10(compC * pwC * 4.0 * rf80);
studlvl = (int) (studlvl + 0.5);
/* LOAD PHASE TABLE */
settable(t3, 2, phi3);
settable(t5, 4, phi5);
settable(t11, 4, rec);
/* INITIALIZE VARIABLES */
if (dpwrf < 4095)
{
printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1);
}
if (pwC > (25.0e-6 * 600.0 / sfrq))
{
printf("Increase pwClvl so that pwC < 25*600/sfrq");
psg_abort(1);
}
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 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;
ncyc = getval("ncyc");
if (ix < 2)
printf("ncyc = %d, mix = %.6f\n", ncyc, (double) ncyc * pwmix);
/* 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')
{
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("offC10P", 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("offC10P", pwC10, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decpwrf(rf0);
delay(taub - gt4 - 2.0 * GRADIENT_DELAY);
decrgpulse(pwC, one, 0.0, 0.0);
decpower(mixpwr);
decpwrf(mixpwrf);
if (ncyc > 0)
decspinlock(mixpat, 1.0 / mixdmf, mixres, one, ncyc);
decpower(pwClvl);
decpwrf(rf0);
if (H2Opurge[A] == 'y')
{
obspwrf(1000.0);
rgpulse(900 * pw, zero, 0.0, 0.0);
rgpulse(500 * pw, one, 0.0, 0.0);
obspwrf(4095.0);
}
zgradpulse(gzlvl7, gt7);
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')
{
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);
delay(taua - gt5 - 2.0 * pwC - 2.0 * POWER_DELAY);
decrgpulse(pwC, zero, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
if (STUD[A] == 'y')
decpower(studlvl);
else
decpower(dpwr);
dec2power(dpwr2);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y')
lk_sample();
setreceiver(t11);
if ((STUD[A] == 'y') && (dm[C] == 'y'))
{
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
if (dm2[C] == 'y')
{
setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2);
}
}
else
status(C);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* Flag to use magic-angle gradients */
H2O_flg[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 */
tau2, /* t2 delay */
delta1, delta2, TC = getval("TC"), /* 3.5 ms */
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 */
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
/* the following pulse length for the SLP pulse is automatically calculated */
/* by the macro "hcch_cosy". The SLP pulse shape,"offC10" is called */
/* directly from your shapelib. */
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 */
pwmax, 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"),
gt2 = getval("gt2"), gt3 = getval("gt3"), gt4 = getval("gt4"),
gt5 = getval("gt5"), gt7 = getval("gt7"), gt8 = getval("gt8"),
gt9 = getval("gt9"), gzcal = getval("gzcal"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"), gzlvl7 = getval("gzlvl7"), gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9");
getstr("f1180", f1180);
getstr("f2180", f2180);
getstr("H2O_flg", H2O_flg);
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);
/* INITIALIZE VARIABLES */
if (dpwrf < 4095)
{
printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1);
}
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
pwC10 = getval("pwC10");
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 (pwC > (24.0e-6 * 600.0 / sfrq))
{
printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1);
}
}
else
/* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if (FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 118.0 * ppm;
ofs = 139.0 * ppm;
offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC * pwC, pwClvl);
if (dm3[B] == 'y')
H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rf7 = offC10.pwrf;
pwC10 = offC10.pw;
}
if ((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);
}
getstr("f1180", f1180);
getstr("f2180", f2180);
getstr("mag_flg", mag_flg);
getstr("H2O_flg", H2O_flg);
pwmax = 2.0 * pwN;
if (pwC10 > pwmax)
pwmax = pwC10;
/* check validity of parameter range */
if ((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect Dec2 decoupler flags! Should be nnn ");
psg_abort(1);
}
if (dpwr > 50)
{
printf("don't fry the probe, dpwr too large! ");
psg_abort(1);
}
if (dpwr2 > 50)
{
printf("don't fry the probe, dpwr2 too large! ");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 4, phi2);
settable(t3, 16, phi3);
settable(t4, 2, phi4);
settable(t11, 8, rec);
/* INITIALIZE VARIABLES */
/* Phase incrementation for hypercomplex data */
if (phase1 == 2) /* Hypercomplex in t1 */
{
tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t2, 1, 4);
}
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if (ix == 1)
d2_init = d2;
t1_counter = (int) ((d2 - d2_init) * sw1 + 0.5);
if (t1_counter % 2)
{
tsadd(t1, 2, 4);
tsadd(t11, 2, 4);
}
/* calculate modification to phases based on current t2 values
to achieve States-TPPI acquisition */
if (ix == 1)
d3_init = d3;
t2_counter = (int) ((d3 - d3_init) * sw2 + 0.5);
if (t2_counter % 2)
{
tsadd(t2, 2, 4);
tsadd(t11, 2, 4);
}
/* set up so that get (90, -180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (f1180[A] == 'y')
{
tau1 += (1.0 / (2.0 * sw1));
}
if (tau1 < 1.0e-6)
tau1 = 0.0;
tau1 = tau1 / 2.0;
/* set up so that get (90, -180) phase corrects in F2 if f2180 flag is y */
tau2 = d3;
if (f2180[A] == 'y')
{
tau2 += (1.0 / (2.0 * sw2));
}
if (tau2 < 1.0e-6)
tau2 = 0.0;
tau2 = tau2 / 2.0;
if (ni > 1)
delta1 = (double) (t1_counter * (taua - gt2 - 0.2e-3)) / ((double) (ni - 1));
else
delta1 = 0.0;
if (ni2 > 1)
delta2 = (double) (t2_counter * (TC - 0.6e-3)) / ((double) (ni2 - 1));
else
delta2 = 0.0;
initval(7.0, v1);
obsstepsize(45.0);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(10.0e-6);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
decphase(zero);
dec2phase(zero);
xmtrphase(v1);
txphase(t1);
if (dm3[B] == 'y')
lk_sample();
delay(d1);
if (dm3[B] == 'y')
{
lk_hold();
lk_sampling_off();
} /*freezes z0 correction, stops lock pulsing */
rcvroff();
if (gt1 > 0.2e-6)
{
decrgpulse(pwC, zero, rof1, rof1);
delay(2.0e-6);
zgradpulse(gzlvl1, gt1);
delay(1.0e-3);
}
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);
}
status(B);
rgpulse(pw, t1, 1.0e-4, 2.0e-6);
xmtrphase(zero);
zgradpulse(gzlvl2, gt2);
delay(taua - gt2 - 2.0 * pwC - 2.0e-6 - SAPS_DELAY);
txphase(zero);
delay(tau1);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
delay(tau1 - delta1);
rgpulse(2.0 * pw, zero, 0.0, 2.0e-6);
zgradpulse(gzlvl2, gt2);
txphase(one);
delay(taua - delta1 - gt2 - 2.0e-6);
rgpulse(pw, one, 0.0, 2.0e-6);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal * gzlvl3, gt3);
}
else
{
zgradpulse(gzlvl3, gt3);
}
decphase(t2);
txphase(zero);
delay(200.0e-6);
decrgpulse(pwC, t2, 2.0e-6, 0.0);
decphase(zero);
decpwrf(rf7);
delay(tau2);
sim3shaped_pulse("", "offC10", "", 0.0, pwC10, 2.0 * pwN, zero, zero, zero, 0.0, 0.0);
delay(taub - pwmax - WFG_START_DELAY - WFG_STOP_DELAY - POWER_DELAY);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
decphase(t3);
decpwrf(4095.0);
delay(TC - taub + tau2 - delta2 - 2.0 * pw - POWER_DELAY);
decrgpulse(2.0 * pwC, t3, 0.0, 0.0);
decphase(t4);
delay(TC - delta2 - POWER_DELAY);
decrgpulse(pwC, t4, 0.0, 2.0e-6);
zgradpulse(gzlvl4, gt4);
txphase(zero);
decphase(zero);
delay(tauc - gt4);
decrgpulse(2.0 * pwC, zero, 0.0, 2.0e-6);
if (H2O_flg[A] == 'y')
{
delay(tauc - gt4 - 500.0e-6 - POWER_DELAY);
zgradpulse(gzlvl4, gt4);
decphase(one);
obspwrf(1000.0);
delay(500.0e-6);
decrgpulse(pwC, one, 0.0, 1.0e-6);
rgpulse(900 * pw, one, rof1, 0.0);
txphase(zero);
rgpulse(500 * pw, zero, 2.0e-6, 2.0e-6);
obspwrf(4095.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal * gzlvl5, gt5);
}
else
{
zgradpulse(gzlvl5, gt5);
}
decphase(one);
delay(200.0e-6);
simpulse(pw, pwC, zero, one, 0.0, 2.0e-6);
zgradpulse(gzlvl7, gt7);
decphase(zero);
delay(taub - gt7);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 2.0e-6);
zgradpulse(gzlvl7, gt7);
delay(taub - gt7);
}
else
{
delay(tauc - taub - 2.0 * pw - POWER_DELAY);
rgpulse(2.0 * pw, zero, 0.0, 2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(taub - gt4 - 2.0e-6);
}
decrgpulse(pwC, zero, 0.0, 2.0e-6);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal * gzlvl8, gt8);
}
else
{
zgradpulse(gzlvl8, gt8);
}
txphase(zero);
delay(200.0e-6);
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 */
}
rgpulse(pw, zero, 0.0, 2.0e-6);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal * gzlvl9, gt9);
}
else
{
zgradpulse(gzlvl9, gt9);
}
delay(taua - gt9);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 2.0e-6);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal * gzlvl9, gt9);
}
else
{
zgradpulse(gzlvl9, gt9);
}
if (STUD[A] == 'y')
decpower(studlvl);
else
decpower(dpwr);
dec2power(dpwr2);
delay(taua - gt9 - rof1 - 0.5 * pw - 2.0 * POWER_DELAY);
rgpulse(pw, zero, rof1, rof2);
rcvron();
if (dm3[B] == 'y')
lk_sample();
setreceiver(t11);
if ((STUD[A] == 'y') && (dm[C] == 'y'))
{
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
if (dm2[C] == 'y')
{
setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2);
}
}
else
status(C);
setreceiver(t11);
}
