pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
f3180[MAXSTR], /* Flag to start t3 @ halfdwell */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
spca180[MAXSTR], /* string for the waveform Ca 180 */
spco180[MAXSTR], /* string for the waveform Co 180 */
spchirp[MAXSTR], /* string for the waveform reburp 180 */
ddseq[MAXSTR], /* 2H decoupling seqfile */
shp_sl[MAXSTR], /* string for seduce shape */
sel_flg[MAXSTR];
int phase, phase2, phase3, ni2, ni3, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
t3_counter; /* used for states tppi in t3 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for c nucleus @ d_c90 */
pwc180on, /* PW180 at @ d_c180 */
pwchirp, /* PW180 for ca nucleus @ d_creb */
pwc180off, /* PW180 at d_c180 + pad */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90 = sqrt(15)/4delta)
delta is the separation between Ca and Co */
d_c180, /* power level for 180 13C pulses
(pwc180on=sqrt(3)/2delta */
d_chirp,
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sw3, /* sweep width in f3 */
pw_sl, /* pw90 for H selective pulse on water ~ 2ms */
phase_sl, /* phase for pw_sl */
tpwrsl, /* power level for square pw_sl */
pwDlvl, /* Power for D decoupling */
pwD, /* pw90 at pwDlvl */
pwC, pwClvl, /* C-13 calibration */
compC,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab, /* delay to compensate for gradient gt5 */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
phase3 = (int) ( getval("phase3") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
ni2 = getval("ni2");
ni3 = getval("ni3");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
if(autocal[0]=='n')
{
getstr("spca180",spca180);
getstr("spco180",spco180);
getstr("spchirp",spchirp);
pwc90 = getval("pwc90");
pwc180on = getval("pwc180on");
pwc180off = getval("pwc180off");
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
pwchirp = getval("pwchirp");
d_chirp = getval("d_chirp");
}
else
{
strcpy(spca180,"Phard180ca");
strcpy(spco180,"Phard180co");
strcpy(spchirp,"Pchirp180");
if (FIRST_FID)
{
pwC = getval("pwC");
compC = getval("compC");
pwClvl = getval("pwClvl");
co90 = pbox("cal", CO90, CO180ps, dfrq, pwC*compC, pwClvl);
co180 = pbox("cal", CO180, CO180ps, dfrq, pwC*compC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, pwC*compC, pwClvl);
co180a = pbox(spco180, CO180a, CA180ps, dfrq, pwC*compC, pwClvl);
chirp = pbox(spchirp, CHIRP, CHIRPps, dfrq, pwC*compC, pwClvl);
}
pwc90 = co90.pw; d_c90 = co90.pwr;
pwc180on = co180.pw; d_c180 = co180.pwr;
pwc180off = ca180.pw;
pwchirp = chirp.pw; d_chirp = chirp.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( bigTN - (ni3-1)*0.5/sw3 - WFG3_START_DELAY < 0.2e-6 )
{
text_error(" ni3 is too big\n");
text_error(" please set ni3 smaller or equal to %d\n",
(int) ((bigTN -WFG3_START_DELAY)*sw3*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' || dm[D] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 50 )
{
text_error("don't fry the probe, dpwr3 too large! ");
psg_abort(1);
}
if( d_c90 > 62 )
{
text_error("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwc90 > 200.0e-6 )
{
text_error("dont fry the probe, pwc90 too high ! ");
psg_abort(1);
}
if( pwc180off > 200.0e-6 )
{
text_error("dont fry the probe, pwc180 too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
text_error("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
text_error("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
if((fca180[A] == 'y') && (ni2 > 1))
{
text_error("must set fca180='n' to allow Calfa evolution (ni2>1)\n");
psg_abort(1);
}
if((fco180[A] == 'y') && (ni > 1))
{
text_error("must set fco180='n' to allow CO evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t1,1,4);
if (phase2 == 2) tsadd(t5,1,4);
if (phase3 == 2) { tsadd(t4, 2, 4); icosel = 1; }
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1)) {
if (pwc180off > 2.0*pwN)
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
else
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
if(tau1 < 0.2e-6) {
tau1 = 0.4e-6;
text_error("tau1 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau1 = tau1 - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
else
tau1 = tau1 - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
if(tau1 < 0.2e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1)) {
if (pwc180off > 2.0*pwN)
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6);
else
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6);
if(tau2 < 0.2e-6) {
tau2 = 0.4e-6;
text_error("tau2 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6;
else
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6;
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
tau2 = tau2/2.0;
/* Set up f3180 tau3 = t3 */
tau3 = d4;
if ((f3180[A] == 'y') && (ni3 > 1)) {
tau3 += ( 1.0 / (2.0*sw3) );
if(tau3 < 0.2e-6) tau3 = 0.4e-6;
}
tau3 = tau3/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d4_init = d4 ;
t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5 );
if(t3_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dof); /* set Dec1 carrier at Co */
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_chirp); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr); txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta );
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* t1 period for Co evolution begins */
if (fco180[A]=='n')
{
decpower(d_c180);
delay(tau1);
sim3shaped_pulse("",spca180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau1);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t1 period for Co evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(150.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwc90,t5,2.0e-6,0.0);
/* t2 period for Ca evolution begins */
if (fca180[A]=='n')
{
decphase(zero); dec2phase(zero);
decpower(d_c180);
delay(tau2);
sim3shaped_pulse("",spco180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau2);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t2 period for Ca evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof); /* set carrier back to Co */
decpower(d_chirp);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(150.0e-6);
/* t3 period begins */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - WFG_START_DELAY - pwchirp - WFG_STOP_DELAY
-gt1 -500.2e-6 -2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
/* t3 period ends */
decpower(d_c90);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq);
decrgpulse(pwc90,zero,20.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwc90 - 20.0e-6 - pwc90 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
decoffset(dof);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
char 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();
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCTCa[MAXSTR], /* Flag for CT or non_CT on Ca dimension */
sel_flg[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
pwS4, /* selective CO 180 */
pwS3, /* selective Ca 180 */
pwS1, /* selecive Ca 90 */
pwS2, /* selective CO 90 */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCTCa",fCTCa);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
dpwr = getval("dpwr");
dpwr3 = getval("dpwr3");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
pwS1=c13pulsepw("ca", "co", "square", 90.0);
pwS2=c13pulsepw("co", "ca", "sinc", 90.0);
pwS3=c13pulsepw("ca", "co", "square", 180.0);
pwS4=c13pulsepw("co", "ca", "sinc", 180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 50.0e-6)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t5,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t1,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t5,1,4); tsadd(t1,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = 1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ca/swTilt;
tau2 = 1.0*t1_counter*cos_CO/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS4 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS4)*2.0*swTilt/cos_N))); psg_abort(1);}
if ((fCTCa[A]=='y') && (bigTCa - 0.5*ni*(cos_Ca/swTilt) - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6))
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTCa -WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6)/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
if (bigTCo - 0.5*ni*(cos_CO/swTilt) - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
printf(" ni is too big for CO. Make ni equal to %d or less.\n",
(int) ((bigTCo - 4.0e-6 - POWER_DELAY) / (0.5*cos_CO/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
set_c13offset("ca"); /* set Dec1 carrier at Ca */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
zero, zero, zero, 2.0e-6, 0.0);
set_c13offset("co"); /* set Dec1 carrier at Co */
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); dec2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxx 13CO to 13CA TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt10 - 100.2e-6 - (0.5*10.933*pwC));
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - 4.0e-6 - gt10 - 100.2e-6 - (0.5*10.933*pwC));
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0);
if (fCTCa[A]=='y')
{
/* Constant t2 */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1);
decoff();
decprgoff();
decpower(pwClvl);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwS4
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
decpower(pwClvl);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
initval(1.0,v3);
decstepsize(140);
dcplrphase(v3);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
}
/* non_constant t2 */
else
{
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decstepsize(1.0);
initval(sphase1, v3);
dcplrphase(v3);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
}
decpower(pwClvl);
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl12, gt12);
delay(gstab);
/* xxxxxxxxxxxxxxx 13CA to 13CO TRANSFER and CT 13CO EVOLUTION xxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
delay(taud - 4.0*pwN - POWER_DELAY
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY));
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
decphase(t8);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
delay(bigTCo - taud
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY) );
c13pulse("co", "ca", "sinc", 180.0, t8, 0.0, 0.0);
dcplrphase(zero); decphase(one);
delay(bigTCo - tau2 - POWER_DELAY - 4.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS4);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
txphase(zero);
dec2phase(t4);
delay(bigTN - gt5 - gstab -0.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwS3 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 4.0e-6, 0.0);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(50.0e-6);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(50.0e-6);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 2.0*POWER_DELAY);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
cbdecseq[MAXSTR],
chirp_shp[MAXSTR], /* name of variable containing name of Pbox shape */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
sel_flg[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double d2_init=0.0, /* used for states tppi in t1 */
tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
cophase, /* phase correction for CO evolution */
caphase, /* phase correction for Ca evolution */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
pwS1, /* length of 90 on Ca */
pwS2, /* length of 90 on CO */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 180 on CO */
pwS5, /* CHIRP inversion pulse on CO and CA */
pwrS5=0.0, /* power of CHIRP pulse */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* ampl. compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0;
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("fscuba",fscuba);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
satpwr = getval("tsatpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
cophase = getval("cophase");
caphase = getval("caphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t4,8,phi4);
settable(t5,4,phi5);
settable(t6,8,rec);
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co","ca","sinc",180.0);
/*this section creates the chirp pulse inverting both co and ca*/
/*Pcoca180 is the name of the shapelib file created */
/*chirp180 is a file produced by Pbox psg containing parameter values from shape*/
strcpy(chirp_shp,"Pcoca180");
if (FIRST_FID) /* make shape once */
chirp180 = pbox(chirp_shp, CHIRP180, CHIRP180ps, dfrq, compC*pwC, pwClvl);
pwrS5 = chirp180.pwr; /* get pulse power from file */
pwS5 = chirp180.pw; /* get pulse width from file */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t1,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1,1,4); tsadd(t5,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_CO/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN )*2.0*swTilt/cos_N))); psg_abort(1);}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
set_c13offset("co"); /* set Dec1 carrier at Co */
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 2.0e-6);
txphase(zero);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taua - gt1 - gstab - 2.0e-6);
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
decpower(pwrS5);
delay( zeta -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
decpower(pwrS5);
delay( zeta - 1.34e-3 - 2.0*pw -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* t1 period for CO evolution */
c13pulse("co", "ca", "sinc", 90.0, t1, 0.0, 0.0);
if (!strcmp(fco180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(10.0e-6);
}
else
{
if (tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6 > 0.0)
{
delay(tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(tau1-2.0*pwS2/PI-pwN-SAPS_DELAY-WFG3_STOP_DELAY-POWER_DELAY-2.0e-6);
}
else
{
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t2 period for Ca evolution*/
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 0.0, 0.0);
if (!strcmp(fca180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
delay(10.0e-6);
}
else
{
if (tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
-WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6 > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-SAPS_DELAY-WFG3_STOP_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
decpower(pwClvl);
}
else
{
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("ca", "co", "square", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
decpower(pwrS5);
delay(bigTN - tau3 -POWER_DELAY);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
delay(bigTN - WFG_START_DELAY - pwS5 - WFG_STOP_DELAY
- gt5 - gstab - 2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, zero, 20.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwS1 - 20.0e-6 - pwS2 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
set_c13offset("co");
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(gstab);
txphase(one);
dec2phase(one);
delay(taub - gt6 - gstab);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(gstab);
delay(taub - gt7 - gstab);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(gstab);
delay(BigT1 - gt8/2.0 - gstab - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(gstab);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - gstab - 2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* 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 VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ddseq[MAXSTR], /* deuterium decoupling sequence */
shp_sl[MAXSTR],
shcreb[MAXSTR], /* reburp shape for center of t1 period */
shcgcob[MAXSTR], /* g3 inversion at 154 ppm (350 us) */
shcgcoib[MAXSTR], /* g3 time inversion at 154 ppm (350 us) */
shca180[MAXSTR], /* Ca 180 [D/sq(3)] during 15N CT */
shco180[MAXSTR], /* Co 180 [D/sq(15)] during 15N CT */
sel_flg[MAXSTR], /* active/passive purging of undesired
component */
fCT[MAXSTR], /* Flag for constant time C13 evolution */
fc180[MAXSTR],
cal_sphase[MAXSTR],
shared_CT[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni2, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
del1, /* time for C'-N to refocus set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
bigTC, /* carbon T period */
zeta, /* delay for transfer from ca to cb = 3.5 ms */
tsatpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tauf, /* 1/2J NH value */
pw_sl, /* selective pulse on water */
phase_sl, /* phase on water */
tpwrsl, /* power for pw_sl */
at,
d_cgcob, /* power level for g3 pulses at 154 ppm */
d_creb, /* power level for reburp 180 at center of t1 */
pwcgcob, /* g3 ~ 35o us 180 pulse */
pwcreb, /* reburp ~ 400us 180 pulse */
pwD, /* 2H 90 pulse, about 125 us */
pwDlvl, /* 2H 90 pulse, about 125 us */
pwca180, /* Ca 180 during N CT at d_ca180 */
pwco180, /* Co 180 during N CT at d_co180 */
d_ca180,
d_co180,
compC = getval("compC"), /* C-13 RF calibration parameters */
pwC = getval("pwC"),
pwClvl = getval("pwClvl"),
pwN,
pwNlvl,
sphase,
pw_sl1,
tpwrsl1,
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt11,
gt13,
gt14,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl11,
gzlvl13,
gzlvl14;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("fCT",fCT);
getstr("fc180",fc180);
getstr("cal_sphase",cal_sphase);
getstr("shared_CT",shared_CT);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
del1 = getval("del1");
bigTN = getval("bigTN");
bigTC = getval("bigTC");
zeta = getval("zeta");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
tauf = getval("tauf");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
pw_sl1 = getval("pw_sl1");
tpwrsl1 = getval("tpwrsl1");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt11 = getval("gt11");
gt13 = getval("gt13");
gt14 = getval("gt14");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl11 = getval("gzlvl11");
gzlvl13 = getval("gzlvl13");
gzlvl14 = getval("gzlvl14");
if(autocal[0]=='n')
{
getstr("shcgcob",shcgcob);
getstr("shcgcoib",shcgcoib);
getstr("shcreb",shcreb);
getstr("shca180",shca180);
getstr("shco180",shco180);
d_ca180 = getval("d_ca180");
d_co180 = getval("d_co180");
d_cgcob = getval("d_cgcob");
d_creb = getval("d_creb");
pwca180 = getval("pwca180");
pwco180 = getval("pwco180");
pwcgcob = getval("pwcgcob");
pwcreb = getval("pwcreb");
}
else
{
strcpy(shcgcob,"Pg3_107p");
strcpy(shcgcoib,"Pg3i_107p");
strcpy(shcreb,"Preb_on");
strcpy(shca180,"Phard_15p");
strcpy(shco180,"Phard_133p");
if (FIRST_FID)
{
cgcob = pbox(shcgcob, G3CGCOB, CAB180ps, dfrq, compC*pwC, pwClvl);
cgcoib = pbox(shcgcoib, G3CGCOBi, CAB180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(shcreb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(shca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
co180 = pbox(shco180, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_ca180 = ca180.pwr;
d_co180 = co180.pwr;
d_cgcob = cgcob.pwr;
d_creb = creb.pwr;
pwca180 = ca180.pw;
pwco180 = co180.pw;
pwcgcob = cgcob.pw;
pwcreb = creb.pw;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,1,phi4);
settable(t5,16,phi5);
settable(t6,8,phi6);
settable(t7,1,phi7);
settable(t8,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(shared_CT[A] == 'n')
if(bigTN - 0.5*(ni2 -1)/sw2 - POWER_DELAY < 0.2e-6)
{
text_error(" ni2 is too big\n");
text_error(" please set ni2 smaller or equal to %d\n",
(int) ((bigTN -POWER_DELAY)*sw2*2.0) +1 );
psg_abort(1);
}
if(fCT[A] == 'y')
if(bigTC - 0.5*(ni-1)/sw1 - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 < 0.2e-6) {
text_error("ni is too big\n");
text_error(" please set ni smaller or equal to %d\n",
(int) ((bigTC - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6)*sw1*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 47 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 63 )
{
text_error("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pwNlvl > 63 )
{
text_error("don't fry the probe, pwNlvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
text_error("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( f1180[A] != 'n' && f2180[A] != 'n' ) {
text_error("flags may be set wrong: set f1180=n and f2180=n for 3d\n");
psg_abort(1);
}
if(d_ca180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if(d_co180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if( gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3
|| gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3
|| gt11 > 15e-3 || gt13 > 15e-3
|| gt14 > 15e-3)
{
text_error("gti values must be < 15e-3\n");
psg_abort(1);
}
if(tpwrsl > 25) {
text_error("tpwrsl must be less than 25\n");
psg_abort(1);
}
if(tpwrsl1 > 25) {
text_error("tpwrsl1 must be less than 25\n");
psg_abort(1);
}
if( dpwr3 > 50) {
text_error("dpwr3 too high\n");
psg_abort(1);
}
if( del1 > 0.1 ) {
text_error("too long del1\n");
psg_abort(1);
}
if( zeta > 0.1 ) {
text_error("too long zeta\n");
psg_abort(1);
}
if( bigTN > 0.1) {
text_error("too long bigTN\n");
psg_abort(1);
}
if( bigTC > 0.1) {
text_error("too long bigTC\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
text_error("too long pw_sl\n");
psg_abort(1);
}
if( pw_sl1 > 10e-3) {
text_error("too long pw_sl1\n");
psg_abort(1);
}
if( at > 0.1 && dm2[D] == 'y') {
text_error("too long at with dec2\n");
psg_abort(1);
}
if(pwDlvl > 59) {
text_error("pwDlvl is too high; <= 59\n");
psg_abort(1);
}
if(d_creb > 62) {
text_error("d_creb is too high; <= 62\n");
psg_abort(1);
}
if(d_cgcob > 60) {
text_error("d_cgcob is too high; <=60\n");
psg_abort(1);
}
if(cal_sphase[A] == 'y') {
text_error("Use only to calibrate sphase\n");
text_error("Set zeta to 600 us, gt11=gt13=0, fCT=y, fc180=n\n");
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
text_error("Both nietl_flg and sel_flg cannot by y\n");
psg_abort(1);
}
if (fCT[A] == 'n' && fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow Calfa/Cbeta evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
/* changed from 1 to 3; spect. rev. not needed */
if (phase == 2) { tsadd(t2,3,4); tsadd(t3,3,4); }
if (shared_CT[A] == 'n')
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = 1; }
else icosel = -1;
}
else
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = -1; }
else icosel = 1;
}
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t8,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t8,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y' && fCT[A] == 'y')
tau1 += ( 1.0 / (2.0*sw1) );
if(f1180[A] == 'y' && fCT[A] == 'n')
tau1 += (1.0 / (2.0*sw1) - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(f1180[A] == 'n' && fCT[A] == 'n')
tau1 = (tau1 - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 4.0e-7;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec3power(pwDlvl); /* Set Dec3 for 2H hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,0.0,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
dec2phase(t1); decphase(zero);
delay(taua - gt5 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'y')
{
rgpulse(pw,one,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,two,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY);
rgpulse(pw,zero,0.0,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(zero);
delay(del1 - 1.34e-3 - 4.0*pw - 4.0e-6
- POWER_DELAY + WFG_START_DELAY + pwca180 + WFG_STOP_DELAY);
}
else
{
rgpulse(pw,three,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dec2phase(zero);
decpower(d_ca180);
delay(del1 - POWER_DELAY + WFG_START_DELAY
+ pwca180 + WFG_STOP_DELAY);
}
decphase(zero);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(one);
delay(del1);
dec2rgpulse(pwN,one,0.0,0.0);
decpower(pwClvl);
decphase(t2);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
dec2phase(t5);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwC,t2,0.0,0.0);
delay(zeta
- PRG_STOP_DELAY - DELAY_BLANK - POWER_DELAY - 4.0e-6
- pwD
- gt11 - 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt11 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- DELAY_BLANK - POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,t3,4.0e-6,0.0);
if (fCT[A] == 'y')
{
delay(tau1);
decpower(d_cgcob);
decshaped_pulse(shcgcob,pwcgcob,zero,4.0e-6,0.0);
delay(bigTC - POWER_DELAY - WFG_START_DELAY - 4.0e-6
- pwcgcob - WFG_STOP_DELAY
- 102.0e-6 - gt14
- PRG_STOP_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(bigTC - tau1 - WFG_STOP_DELAY - gt14
- 102.0e-6 - POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwcgcob - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6);
decpower(d_cgcob);
decshaped_pulse(shcgcoib,pwcgcob,zero,4.0e-6,0.0);
decphase(t4);
}
else if(fCT[A] == 'n' && fc180[A] == 'n')
{
delay(tau1);
delay(tau1);
}
else if(fCT[A] == 'n' && fc180[A] == 'y')
{
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,0.0);
dcplrphase(zero);
}
decpower(pwClvl);
decrgpulse(pwC,t4,4.0e-6,0.0);
delay(zeta - POWER_DELAY - 4.0e-6
- pwD - PRG_STOP_DELAY - DELAY_BLANK
- gt13
- 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v5);
decstepsize(sphase);
dcplrphase(v5);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt13 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(200.0e-6);
if (shared_CT[A] == 'n')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(t6);
delay(bigTN - tau2 - POWER_DELAY);
dec2rgpulse(2*pwN,t6,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(t7);
delay(bigTN - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY
- gt1 - 2.0*GRADIENT_DELAY - 500.2e-6
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwco180 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_co180);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(tau2);
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
else if (shared_CT[A] == 'y')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_co180);
dec2phase(t6);
if (bigTN - tau2 >= 0.2e-6)
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
decpower(d_ca180);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180 - WFG_STOP_DELAY
- POWER_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2rgpulse(2*pwN,t6,0.0,0.0);
delay(bigTN - tau2);
}
else
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_ca180);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180
- WFG_STOP_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- POWER_DELAY - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
delay(tau2 - bigTN);
dec2rgpulse(2.0*pwN,t6,0.0,0.0);
}
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
/* end of shared_CT */
if (nietl_flg[A] == 'n')
{
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf - POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{ /* nietl_flg == y */
/* shaped pulse */
obspower(tpwrsl1);
shaped_pulse(shp_sl,pw_sl1,zero,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl1 - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY
- POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
} /* end of nietl_flg == y */
delay(gt2 +gstab -0.5*(pwN-pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr); /* NO 13C decoupling */
dec2power(dpwr2); /* NO 15N decoupling */
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t8);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* deuterium decoupling sequence */
spcosed[MAXSTR], /* waveform Co seduce 180 */
spcareb[MAXSTR], /* waveform Ca reburp 180 */
spca180[MAXSTR], /* waveform Ca hard 180 */
sel_flg[MAXSTR],
shp_sl[MAXSTR],
cacb_dec[MAXSTR],
cacbdecseq[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for ca nucleus @ d_c90 */
pwca180, /* PW180 for ca nucleus @ d_c180 */
pwca180dec, /* pwca180+pad */
pwcareb, /* pw180 at d_creb ~ 1.6 ms at 600 MHz */
pwcosed, /* PW180 at d_csed ~ 200us at 600 MHz */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90=sqrt(15)/4delta
delta is the separation between Ca and Co */
d_c180, /* power level for pwca180(sqrt(3)/2delta) */
d_creb, /* power level for pwcareb */
d_csed, /* power level for pwcosed */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pw_sl, /* selective pulse on water */
tpwrsl, /* power for pw_sl */
at,
sphase, /* small angle phase shift */
sphase1,
phase_sl,
d_cacbdec,
pwcacbdec,
dres_dec,
pwD, /* PW90 for higher power (pwDlvl) deut 90 */
pwDlvl, /* high power for deut 90 hard pulse */
compC, /* C-13 RF calibration parameters */
pwC,
pwClvl,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("cacb_dec",cacb_dec);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
pw_sl = getval("pw_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
sphase1 = getval("sphase1");
phase_sl = getval("phase_sl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
if(autocal[0]=='n')
{
getstr("spcosed",spcosed);
getstr("spcareb",spcareb);
getstr("spca180",spca180);
getstr("cacbdecseq",cacbdecseq);
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
d_creb = getval("d_creb");
d_csed = getval("d_csed");
pwc90 = getval("pwc90");
pwca180 = getval("pwca180");
pwca180dec = getval("pwca180dec");
pwcareb = getval("pwcareb");
pwcosed = getval("pwcosed");
d_cacbdec = getval("d_cacbdec");
pwcacbdec = getval("pwcacbdec");
dres_dec = getval("dres_dec");
}
else
{
strcpy(spcosed,"Phard_118p");
strcpy(spcareb,"Preburp_-15p");
strcpy(spca180,"Phard_-118p");
strcpy(cacbdecseq,"Pcb_dec");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
co180 = pbox(spcosed, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(spcareb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
cbdec = pbox(cacbdecseq, CBDEC,CBDECps, dfrq, compC*pwC, pwClvl);
c90 = pbox("Phard90", C90, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_c90 = c90.pwr;
d_c180 = ca180.pwr;
d_creb = creb.pwr;
d_csed = co180.pwr;
pwc90 = c90.pw;
pwca180 = ca180.pw;
pwca180dec = ca180.pw;
pwcareb = creb.pw;
pwcosed = co180.pw;
d_cacbdec = cbdec.pwr;
pwcacbdec = 1.0/cbdec.dmf;
dres_dec = cbdec.dres;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,2,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ix==1)
printf("Uses shared AT in the N dimension. Choose ni2 as desired\n");
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > -16 )
{
printf("DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3
|| gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3
|| gt7 > 3e-3 || gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3)
{
printf("gti values must be < 3e-3\n");
psg_abort(1);
}
if(tpwrsl > 30) {
printf("tpwrsl must be less than 25\n");
psg_abort(1);
}
if( pwDlvl > 59) {
printf("pwDlvl too high\n");
psg_abort(1);
}
if( dpwr3 > 50) {
printf("dpwr3 too high\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
printf("too long pw_sl\n");
psg_abort(1);
}
if(d_cacbdec > 40) {
printf("d_cacbdec is too high; < 41\n");
psg_abort(1);
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
printf("nietl_flg and sel_flg cannot both be y\n");
psg_abort(1);
}
if (fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow C' evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t2,1,4);
if (phase2 == 2) {
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Set up f1180 tau2 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1)
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
}
if(f1180[A] == 'n')
tau1 = ( tau1
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 0.2e-6;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t3,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_c180); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
decoffset(dof);
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three);
dec2phase(zero);
decphase(zero);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
decpower(d_c180);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(tauc);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
decpower(d_c180);
initval(1.0,v5);
dec2stepsize(45.0);
dcplr2phase(v5);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay(tauc - 1.34e-3 - 2.0*pw);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
/* END sel_flg */
decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
/* Cay to CaxC'z */
dec2phase(zero);
txphase(zero);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
delay(taud -POWER_DELAY -4.0e-6 -WFG_START_DELAY);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
else
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof+(174-56)*dfrq); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4,gt4);
delay(100.0e-6);
/* t1 period for C' chemical shift evolution; Ca 180 and N 180 are used
to decouple */
decrgpulse(pwc90,t2,2.0e-6,0.0);
if (fc180[A]=='n')
{
decpower(d_c180);
delay(tau1);
decshaped_pulse(spca180,pwca180dec,zero,4.0e-6,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau1);
decpower(d_c90);
}
else
decrgpulse(2*pwc90,zero,0.0,0.0);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof); /* set carrier to Ca */
delay(2.0e-7);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
/* Refocusing CayC'z to Cax */
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
delay(taud - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
else
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decpower(d_c180);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl10,gt10);
delay(100.0e-6);
/* Constant t2 period */
if (bigTN - tau2 >= 0.2e-6)
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2phase(t4);
delay(bigTN - tau2 + pwca180);
dec2rgpulse(2*pwN,t4,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(t5);
decpower(d_csed);
delay(bigTN - gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
else
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2rgpulse(2.0*pwN,t4,2.0e-6,2.0e-6);
dec2phase(t5);
delay(tau2 - bigTN);
decrgpulse(pwca180,zero,0.0,0.0);
decpower(d_csed);
delay(bigTN - pwca180 - POWER_DELAY
- gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
if (nietl_flg[A] == 'n')
{
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,4.0e-6,0.0);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pw_sl
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
}
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2, gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR],
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
spca180[MAXSTR], /* string for the waveform 180 */
fc180[MAXSTR],
shp_sl[MAXSTR], /* string for shape of water pulse */
sel_flg[MAXSTR];
int phase, phase2, ni2, icosel, /* icosel changes sign with gds */
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double pwC,
pwClvl,
compC,
compN,
tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
timeTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient */
pwN, /* PW90 for 15N pulse */
pwco90, /* PW90 for co nucleus @ dhpwr */
pwca180h, /* PW180 for ca at dvhpwr */
pwco180, /* PW180 for co at dhpwr180 */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for 13C pulses on dec1 - 64 us
90 for part a of the sequence */
dhpwr180, /* power level for 13C pulses on dec1 - 64 us
180 for part a of the sequence */
dvhpwr, /* power level for 180 13C pulses at 54 ppm
using a 55.6 us 180 so that get null in
co at 178 ppm */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pw_sl, /* pw90 for H selective pulse on water ~ 2ms */
phase_sl, /* pw90 for H selective pulse on water ~ 2ms */
tpwrsl, /* power level for square pw_sl */
Jf, /* scale factor for JNCo, set to 4-5 */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("spca180",spca180);
getstr("fc180",fc180);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
timeTN = getval("timeTN");
BigT1 = getval("BigT1");
pwca180h = getval("pwca180h");
pwco180 = getval("pwco180");
pwco90 = getval("pwco90");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dhpwr180 = getval("dhpwr180");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
dvhpwr = getval("dvhpwr");
ni = getval("ni");
ni2 = getval("ni2");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
Jf = getval("Jf");
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");
if (autocal[0] == 'y')
{
strcpy(spca180,"Phard_-118p");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
ca180 = pbox(spca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
co90 = pbox("Phard90", CO90, CA180ps, dfrq, compC*pwC, pwClvl);
co180 = pbox("Phard180",CO180,CA180ps, dfrq, compC*pwC, pwClvl);
pwN = getval("pwN"); compN = getval("compN"); pwNlvl = getval("pwNlvl");
}
pwca180h = ca180.pw;
dvhpwr = ca180.pwr;
pwco90 = co90.pw;
dhpwr = co90.pwr;
pwco180 = co180.pw;
dhpwr180 = co180.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 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( dhpwr > 62 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwco90 > 200.0e-6 )
{
printf("dont fry the probe, pwco90 too high ! ");
psg_abort(1);
}
if( pwca180h > 200.0e-6 )
{
printf("dont fry the probe, pwca180h too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt0 > 10.0e-3 || gt1 > 10.0e-3 || gt2 > 10.0e-3 ||
gt4 > 10.0e-3 || gt5 > 10.0e-3 || gt6 > 10.0e-3 ||
gt7 > 10.0e-3 || gt8 > 10.0e-3)
{
printf("gti values are too long. Must be < 10.0e-3\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t1,1,4);
if (phase2 == 2) {
tsadd(t4, 2, 4);
icosel = 1;
} /* change sign of gradient */
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) - 2*pwN - pwca180h - 4.0/PI*pwco90 - 2*POWER_DELAY
- WFG_START_DELAY - 8.0e-6 - WFG_STOP_DELAY );
if(tau1 < 0.2e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dvhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
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);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
txphase(zero);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5*1.3,gt5);
delay(taua - gt5 - 0.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
dec2phase(zero); decphase(zero);
delay(taua -gt5 -gstab -4.0e-6);
zgradpulse(gzlvl5*1.3,gt5);
delay(gstab);
if(sel_flg[A] == 'y') { /* active suppression of one of
the two components */
rgpulse(pw,one,4.0e-6,0.0);
/* shaped pulse */
initval(1.0,v3);
obsstepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay( 1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwco180 );
}
else {
rgpulse(pw,three,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwco180 );
}
dec2rgpulse(2*pwN,zero,0.0,0.0);
decpower(dhpwr180);
decrgpulse(pwco180,zero,0.0,0.0);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
dec2phase(zero); decphase(t1);
decpower(dhpwr);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
decpower(dhpwr);
decrgpulse(pwco90,t1,2.0e-6,0.0);
if( fc180[A] == 'n' ) {
decphase(zero);
delay(tau1);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decpower(dvhpwr);
decshaped_pulse(spca180,pwca180h,zero,4.0e-6,0.0);
decpower(dhpwr);
delay(tau1);
}
else
decrgpulse(2*pwco90,zero,2.0e-7,2.0e-7);
decrgpulse(pwco90,zero,4.0e-6,0.0);
decpower(dvhpwr);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN,t2,2.0e-6,0.0);
delay(tau2);
decshaped_pulse(spca180,pwca180h,zero,0.0,0.0);
delay(tau2);
decpower(dhpwr180);
delay(tau2*Jf);
decrgpulse(pwco180,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-icosel*gzlvl1,gt1/2.0);
delay(50.0e-6);
delay(timeTN - 50.0e-6 -0.2e-6 - 2.0*GRADIENT_DELAY - gt1/2.0);
dec2rgpulse(2*pwN,t3,0.0,0.0);
delay(0.2e-6);
zgradpulse(icosel*gzlvl1,gt1/2.0);
delay(50.0e-6);
delay(tau2*Jf + timeTN - 50.0e-6 -0.2e-6 - 2.0*GRADIENT_DELAY - gt1/2.0
+ WFG_START_DELAY + pwca180h + WFG_STOP_DELAY + pwco180 );
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
txphase(one);
dec2phase(one);
delay(taub - gt6 - gstab -0.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt5 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
delay(taub - gt5 - gstab -0.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
delay(gt2 +gstab +2.0*GRADIENT_DELAY +2.0*POWER_DELAY -0.5*(pwN - pw) -2.0*pw/PI);
rgpulse(2.0*pw,zero,0.0,0.0);
dec2power(dpwr2);
decpower(dpwr);
zgradpulse(gzlvl2,gt2);
delay(gstab);
status(C);
setreceiver(t6);
}