pulsesequence()
{
double cpw,cpwr,jch,gtime1,gtime2,gtime,gdel,gzlvl1,
gzlvl2,gzlvl,gzlvl0,gtime0,gstab0,hsw180,
csw180,delt;
int iphase,icosel,ifad;
char p1pat[MAXSTR],hsweep[MAXSTR],csweep[MAXSTR];
cpw = getval("cpw");
cpwr = getval("cpwr");
jch = getval("jch");
gtime0 = getval("gtime0");
gtime1 = getval("gtime1");
gtime2 = getval("gtime2");
gtime = getval("gtime");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl = getval("gzlvl");
gdel = getval("gdel");
gstab0 = getval("gstab0");
hsw180 = getval("hsw180");
csw180 = getval("csw180");
delt = getval("delt");
getstr("p1pat",p1pat);
getstr("hsweep",hsweep);
getstr("csweep",csweep);
iphase=(int)(getval("phase")+0.5);
if(iphase==2)
{
icosel=-1;
}
else
{
icosel=1;
}
ifad=(int)(getval("ifad")+0.5); /* if ifad != 0 do FAD */
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
assign(ct,v14);
elsenz(ssctr);
sub(ssval,ssctr,v14); /* v14 = 0,1,2,...,ss-1 */
endif(ssctr);
/* PHASE CYCLING */
mod2(v14,v1);
dbl(v1,v1); /* v1=0202 */
hlv(v14,v14);
mod2(v14,v2);
dbl(v2,v2); /* v2=0022 */
add(v1,v2,oph);
hlv(v14,v14);
mod2(v14,v3);
dbl(v3,v3);
add(one,v3,v3); /* v3=4x1,4x3 */
hlv(v14,v14);
add(v14,v1,v1);
add(v14,v2,v2);
add(v14,v3,v3);
add(v14,oph,oph);
assign(v14,v12);
add(one,v14,v13);
if(ifad != 0)
{
initval(2.0*(double)(((int)(d2*sw1+0.5)%2)),v10);
add(v10,oph,oph);
add(v10,v12,v12);
add(v10,v1,v1);
}
/* check parameters */
if((delt-gtime0-gstab0)<0.0)
{
text_error("ABORT: delt-gtime0-gstab0 is negative");
psg_abort(1);
} /* gtime has to be shorter than 1/(4j) */
if((1.0/(4.0*jch)-gtime)<=0.0)
{
text_error("ABORT: gtime too long!");
psg_abort(1);
} /* gtime has to be shorter than 1/(4j) */
if( (dpwr > 50) || (at > 1.2) )
{
text_error("don't fry the probe!!!");
psg_abort(1);
}
/* equilibrium period */
status(A);
delay(10.0e-6);
decpower(cpwr);
decoffset(dof); /*Middle of the X spectrum*/
delay(d1-delt-(10.0e-6));
rgpulse(pw,zero,rof1,rof2);
delay(1.0/(2.0*jch));
simshaped_pulse(p1pat,csweep,p1,csw180,one,one,rof1,rof2);
delay(1.0/(2.0*jch));
rgpulse(pw,zero,rof1,rof2);
rgradient('z',gzlvl0);
delay(gtime0);
rgradient('z',0.0);
delay(gstab0);
delay(delt-gtime0-gstab0);
/* Normal BIRDy presat for carbon-12 protons. Probably not
strictly necessary, but doesn't hurt. */
status(B);
/* Start of pulse sequence. INEPT in: */
rgpulse(pw,v14,rof1,rof2);
delay(1.0/(4.0*jch));
simshaped_pulse(p1pat,csweep,p1,csw180,v14,v12,rof1,rof2);
delay(1.0/(4.0*jch));
rgpulse(pw,v13,rof1,rof2);
/* a short x or y gradient can be added right here to
dephase any tranvserse magnetization */
decrgpulse(cpw,v1,rof1,1.0e-6);
delay(d2/2.0);
shaped_pulse(hsweep,hsw180,v3,1.0e-6,1.0e-6);
delay(d2/2.0);
/* CLUB sandwich: */
zgradpulse(gzlvl1*(double)icosel,gtime1);
delay(gdel);
decshaped_pulse(csweep,csw180,v14,rof1,rof2);
zgradpulse(-gzlvl1*(double)icosel,gtime1);
delay(gdel);
delay(hsw180+(4.0*cpw/3.1416)+(4.0e-6)+WFG_START_DELAY+WFG_STOP_DELAY);
zgradpulse(-gzlvl2*(double)icosel,gtime2);
delay(gdel);
decshaped_pulse(csweep,csw180,v14,rof1,rof2);
zgradpulse(gzlvl2*(double)icosel,gtime2);
delay(gdel);
/* INEPT out */
decrgpulse(cpw,v2,1.0e-6,rof2);
rgpulse(pw,v14,rof1,rof2);
delay(1.0/(4.0*jch));
simshaped_pulse(p1pat,csweep,p1,csw180,v14,v14,rof1,rof2);
zgradpulse(gzlvl,gtime);
delay(1.0/(4.0*jch)-gtime);
decpower(dpwr); /* CAUTION set dpwr to 47dB and acquire for < 1 sec */
status(C);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
f3180[MAXSTR], /* Flag to start t3 @ halfdwell */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
spca180[MAXSTR], /* string for the waveform Ca 180 */
spco180[MAXSTR], /* string for the waveform Co 180 */
spchirp[MAXSTR], /* string for the waveform reburp 180 */
ddseq[MAXSTR], /* 2H decoupling seqfile */
shp_sl[MAXSTR], /* string for seduce shape */
sel_flg[MAXSTR];
int phase, phase2, phase3, ni2, ni3, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
t3_counter; /* used for states tppi in t3 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for c nucleus @ d_c90 */
pwc180on, /* PW180 at @ d_c180 */
pwchirp, /* PW180 for ca nucleus @ d_creb */
pwc180off, /* PW180 at d_c180 + pad */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90 = sqrt(15)/4delta)
delta is the separation between Ca and Co */
d_c180, /* power level for 180 13C pulses
(pwc180on=sqrt(3)/2delta */
d_chirp,
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sw3, /* sweep width in f3 */
pw_sl, /* pw90 for H selective pulse on water ~ 2ms */
phase_sl, /* phase for pw_sl */
tpwrsl, /* power level for square pw_sl */
pwDlvl, /* Power for D decoupling */
pwD, /* pw90 at pwDlvl */
pwC, pwClvl, /* C-13 calibration */
compC,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab, /* delay to compensate for gradient gt5 */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
phase3 = (int) ( getval("phase3") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
ni2 = getval("ni2");
ni3 = getval("ni3");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
if(autocal[0]=='n')
{
getstr("spca180",spca180);
getstr("spco180",spco180);
getstr("spchirp",spchirp);
pwc90 = getval("pwc90");
pwc180on = getval("pwc180on");
pwc180off = getval("pwc180off");
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
pwchirp = getval("pwchirp");
d_chirp = getval("d_chirp");
}
else
{
strcpy(spca180,"Phard180ca");
strcpy(spco180,"Phard180co");
strcpy(spchirp,"Pchirp180");
if (FIRST_FID)
{
pwC = getval("pwC");
compC = getval("compC");
pwClvl = getval("pwClvl");
co90 = pbox("cal", CO90, CO180ps, dfrq, pwC*compC, pwClvl);
co180 = pbox("cal", CO180, CO180ps, dfrq, pwC*compC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, pwC*compC, pwClvl);
co180a = pbox(spco180, CO180a, CA180ps, dfrq, pwC*compC, pwClvl);
chirp = pbox(spchirp, CHIRP, CHIRPps, dfrq, pwC*compC, pwClvl);
}
pwc90 = co90.pw; d_c90 = co90.pwr;
pwc180on = co180.pw; d_c180 = co180.pwr;
pwc180off = ca180.pw;
pwchirp = chirp.pw; d_chirp = chirp.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( bigTN - (ni3-1)*0.5/sw3 - WFG3_START_DELAY < 0.2e-6 )
{
text_error(" ni3 is too big\n");
text_error(" please set ni3 smaller or equal to %d\n",
(int) ((bigTN -WFG3_START_DELAY)*sw3*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' || dm[D] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 50 )
{
text_error("don't fry the probe, dpwr3 too large! ");
psg_abort(1);
}
if( d_c90 > 62 )
{
text_error("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwc90 > 200.0e-6 )
{
text_error("dont fry the probe, pwc90 too high ! ");
psg_abort(1);
}
if( pwc180off > 200.0e-6 )
{
text_error("dont fry the probe, pwc180 too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
text_error("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
text_error("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
if((fca180[A] == 'y') && (ni2 > 1))
{
text_error("must set fca180='n' to allow Calfa evolution (ni2>1)\n");
psg_abort(1);
}
if((fco180[A] == 'y') && (ni > 1))
{
text_error("must set fco180='n' to allow CO evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t1,1,4);
if (phase2 == 2) tsadd(t5,1,4);
if (phase3 == 2) { tsadd(t4, 2, 4); icosel = 1; }
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1)) {
if (pwc180off > 2.0*pwN)
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
else
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
if(tau1 < 0.2e-6) {
tau1 = 0.4e-6;
text_error("tau1 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau1 = tau1 - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
else
tau1 = tau1 - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
if(tau1 < 0.2e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1)) {
if (pwc180off > 2.0*pwN)
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6);
else
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6);
if(tau2 < 0.2e-6) {
tau2 = 0.4e-6;
text_error("tau2 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6;
else
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6;
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
tau2 = tau2/2.0;
/* Set up f3180 tau3 = t3 */
tau3 = d4;
if ((f3180[A] == 'y') && (ni3 > 1)) {
tau3 += ( 1.0 / (2.0*sw3) );
if(tau3 < 0.2e-6) tau3 = 0.4e-6;
}
tau3 = tau3/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d4_init = d4 ;
t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5 );
if(t3_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dof); /* set Dec1 carrier at Co */
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_chirp); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr); txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta );
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* t1 period for Co evolution begins */
if (fco180[A]=='n')
{
decpower(d_c180);
delay(tau1);
sim3shaped_pulse("",spca180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau1);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t1 period for Co evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(150.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwc90,t5,2.0e-6,0.0);
/* t2 period for Ca evolution begins */
if (fca180[A]=='n')
{
decphase(zero); dec2phase(zero);
decpower(d_c180);
delay(tau2);
sim3shaped_pulse("",spco180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau2);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t2 period for Ca evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof); /* set carrier back to Co */
decpower(d_chirp);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(150.0e-6);
/* t3 period begins */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - WFG_START_DELAY - pwchirp - WFG_STOP_DELAY
-gt1 -500.2e-6 -2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
/* t3 period ends */
decpower(d_c90);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq);
decrgpulse(pwc90,zero,20.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwc90 - 20.0e-6 - pwc90 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
decoffset(dof);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
char
f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR]; /* y for magic angle, n for z-gradient only */
int
icosel,
t1_counter,
t2_counter;
double
ni2,
ratio, /* used to adjust t1 semi-constant time increment */
tau1,
tau2,
taua, /* ~ 1/4JCH = 1.5 ms - 1.7 ms] */
taub, /* ~ 3.3 ms */
bigTC, /* ~ 8 ms */
bigTCO, /* ~ 6 ms */
bigTN, /* ~ 12 ms */
tauc, /* ~ 5.4 ms */
taud, /* ~ 2.3 ms */
gstab, /* ~0.2 ms, gradient recovery time */
pwClvl, /* High power level for carbon on channel 2 */
pwC, /* C13 90 degree pulse length at pwClvl */
compH, /* Compression factor for H1 on channel 1 */
compC, /* Compression factor for C13 on channel 2 */
pwNlvl, /* Power level for Nitrogen on channel 3 */
pwN, /* N15 90 degree pulse lenght at pwNlvl */
maxpwCN,
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
pwCa90, /*90 "offC13" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCa180, /*180 "offC17" pulse at Ca(56ppm) xmtr at CO(174ppm) */
pwCO90, /* 90 "offC6" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCO180, /* 180 "offC8" pulse at CO(174ppm) xmtr at CO(174ppm)*/
pwCab180, /* 180 "offC27" pulse at Cab(46ppm) xmtr at CO(174ppm)*/
tpwrHd, /* Power level for proton decoupling on channel 1 */
pwHd, /* H1 90 degree pulse lenth at tpwrHd. */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
phi_CO, /* phase correction for Bloch-Siegert effect on CO */
phi_Ca, /* phase correction for Bloch-Siegert effect on Ca */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6, /* N15 selection gradient level in DAC units */
gzlvl7,
gzlvl0, /* H1 gradient level in DAC units */
gzcal, /* gradient calibration (gcal) */
dfCa180,
dfCab180,
dfC90,
dfCa90,
dfCO180;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg", mag_flg);
gzcal = getval("gzcal");
ni2 = getval("ni2");
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
bigTC = getval("bigTC");
bigTCO = getval("bigTCO");
bigTN = getval("bigTN");
taud = getval("taud");
gstab = getval("gstab");
pwClvl = getval("pwClvl");
pwC = getval("pwC");
compH = getval("compH");
compC = getval("compC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
phi_CO = getval("phi_CO");
phi_Ca = getval("phi_Ca");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt0 = getval("gt0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl0 = getval("gzlvl0");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
pwCa90 = getval("pwCa90");
pwCa180 = getval("pwCa180");
pwCab180 = getval("pwCab180");
pwCO90 = getval("pwCO90");
pwCO180 = getval("pwCO180");
dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/
dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/
dfC90 = (compC*4095.0*pwC*1.69)/pwCO90; /*power for "offC6" pulse */
dfCa90 = (compC*4095.0*pwC)/pwCa90; /*power for "offC13" pulse*/
dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */
dfCa90 = (int) (dfCa90 + 0.5);
dfCa180 = (int) (dfCa180 + 0.5);
dfC90 = (int) (dfC90 + 0.5);
dfCO180 = (int) (dfCO180 + 0.5);
dfCab180 = (int) (dfCab180 +0.5);
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrHd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrHd = (int) (tpwrHd + 0.5);
}
else
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm;
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 128.0*ppm;
offC13 = pbox_make("offC13", "square90n", bw, ofs, compC*pwC, pwClvl);
ofs = -128.0*ppm;
offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl);
bw = 2.8*7500.0;
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
dfC90 = offC6.pwrf; pwCO90 = offC6.pw;
dfCO180 = offC8.pwrf; pwCO180 = offC8.pw;
dfCa90 = offC13.pwrf; pwCa90 = offC13.pw;
dfCa180 = offC17.pwrf; pwCa180 = offC17.pw;
dfCab180 = offC27.pwrf; pwCab180 = offC27.pw;
tpwrHd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
maxpwCN = 2.0*pwN;
if (pwCab180 > pwN) maxpwCN = pwCab180;
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,8,phi3);
settable(t4,16,phi4);
settable(t5,1,phi5);
settable(t16,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ni > 64)
{
printf("ni is out of range. Should be: 14 to 64 ! \n");
psg_abort(1);
}
/*
if(ni/sw1 > 2.0*(bigTCO))
{
printf("ni is too big, should be < %f\n", sw1*2.0*(bigTCO));
psg_abort(1);
}
*/
if(ni2/sw2 > 2.0*(bigTN - pwCO180))
{
printf("ni2 is too big, should be < %f\n",2.0*sw2*(bigTN-pwCO180));
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase1 == 1)
{
tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if ((f1180[A] == 'y') && (ni > 1))
{ tau1 += (1.0/(2.0*sw1)); }
if(tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/4.0;
ratio = 2.0*bigTCO*sw1/((double) ni);
ratio = (double)((int)(ratio*100.0))/100.0;
if (ratio > 1.0) ratio = 1.0;
if((dps_flag) && (ni > 1))
printf("ratio = %f => %f\n",2.0*bigTCO*sw1/((double) ni), ratio);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if ((f2180[A] == 'y') && (ni2 > 1))
{ tau2 += (1.0/(2.0*sw2)); }
if(tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/4.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if((t1_counter % 2))
{
tsadd(t1,2,4);
tsadd(t16,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if((t2_counter % 2))
{
tsadd(t2,2,4);
tsadd(t16,2,4);
}
decstepsize(1.0);
initval(phi_CO, v1);
initval(phi_Ca, v2);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1-1.0e-3);
obsoffset(tof);
decoffset(dof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
rcvroff();
if(gt6 > 0.2e-6)
{
delay(10.0e-6);
decrgpulse(pwC, zero, 1.0e-6, 1.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
}
decpwrf(dfCa180);
delay(1.0e-3);
rgpulse(pw,zero,1.0e-6,1.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(taua - gt0 - 2.0e-6 - WFG_START_DELAY);
simshaped_pulse("","offC17",2.0*pw,pwCa180,zero,zero,1.0e-6,1.0e-6);
/* c13 offset on CO, slp 180 on Ca */
delay(taua - gt0 - 500.0e-6 - WFG_STOP_DELAY);
zgradpulse(gzlvl0,gt0);
txphase(one);
delay(500.0e-6);
rgpulse(pw, one, 1.0e-6, 1.0e-6);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
obspower(tpwrHd);
decpwrf(dfCa90);
delay(200.0e-6);
/* c13 offset on CO, slp 90 on Ca */
decshaped_pulse("offC13", pwCa90, zero, 0.0, 0.0);
delay(taub -PRG_START_DELAY);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfC90);
decphase(t1);
delay(bigTC -taub -SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, on-res 90 on CO */
decshaped_pulse("offC6", pwCO90, t1, 0.0, 0.0);
/* CO EVOLUTION BEGINS */
decpwrf(dfCO180);
decphase(zero);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfCab180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_STOP_DELAY);
xmtroff();
obsprgoff();
/* c13 offset on CO, slp 180 at Cab */
sim3shaped_pulse("","offC27","",0.0,pwCab180,2.0*pwN,zero,zero,zero,0.0,0.0);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
decpwrf(dfCO180);
delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_START_DELAY);
/* c13 offset on CO, on-res 180 on CO */
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfC90);
dcplrphase(v1);
delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1 -SAPS_DELAY);
/* CO EVOLUTION ENDS */
decshaped_pulse("offC6", pwCO90, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 90 on CO */
decpwrf(dfCa90);
decphase(t3); dcplrphase(v2);
delay(bigTC -2.0*SAPS_DELAY -PWRF_DELAY);
/* c13 offset on CO, slp 90 at Ca */
decshaped_pulse("offC13", pwCa90, t3, 0.0, 0.0);
xmtroff();
decpwrf(dfCO180);
decphase(zero); dcplrphase(zero);
dec2phase(t2);
delay(2.0e-5);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 180.0);
xmtron();
txphase(zero);
delay(150.0e-6);
dec2rgpulse(pwN, t2, 0.0, 0.0);
/* N15 EVOLUTION BEGINS HERE */
delay(bigTN/2.0 -tau2);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); /* c13 offset on CO, on-res 180 on CO */
decpwrf(dfCa180);
dec2phase(t4);
delay(bigTN/2.0 -tau2);
dec2rgpulse(2.0*pwN, t4, 0.0, 0.0);
decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0); /* c13 offset on CO, slp 180 at Ca */
decpwrf(dfCO180);
delay(bigTN/2.0 +tau2 -pwCa180 -WFG_START_DELAY -WFG_STOP_DELAY);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
/* c13 offset on CO, on-res 180 on CO */
delay(bigTN/2.0 +tau2 -tauc -PRG_STOP_DELAY);
dec2phase(t5);
xmtroff();
obsprgoff();
obspower(tpwr);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1);
delay(tauc -gt1 -2.0*GRADIENT_DELAY);
/* N15 EVOLUTION ENDS HERE */
sim3pulse(pw,0.0, pwN, zero,zero, t5, 0.0, 0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 500.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
txphase(one);
decphase(one);
delay(500.0e-6);
sim3pulse(pw,0.0, pwN, one,zero, one, 0.0, 0.0);
delay(2.0e-6);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(taud - gt5 - 2.0e-6);
sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taud - gt5 - 2.0*POWER_DELAY - 500.0e-6);
zgradpulse(gzlvl5, gt5);
decpower(dpwr);
dec2power(dpwr2);
delay(500.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gstab +gt2 +2.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt2);
else zgradpulse(icosel*gzlvl2, gt2);
delay(0.5*gstab);
rcvron();
statusdelay(C, 0.5*gstab);
setreceiver(t16);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
del = getval("del"), /* time delays for CH coupling evolution */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "rnacal" */
/* and string parameter rna_stCdec calls them from your shapelib.*/
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
dofa, /* dof shifted to 80 ppm for ribose */
/* p_d is used to calculate the isotropic mixing on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for 35 ppm */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
grecov = getval("grecov"), /* Gradient recovery delay, typically 150-200us */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ text_error("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* Center dof in RIBOSE region on 80 ppm. */
dofa = dof - 30.0*dfrq;
/* dipsi-3 decoupling C-ribose */
p_d = (5.0)/(9.0*4.0*7000.0*(sfrq/800.0)); /* DIPSI-3 covers 35 ppm */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* 80 ppm STUD+ decoupling */
strcpy(rna_stCdec, "wurst80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 0.5*grecov )
{ text_error(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 0.5*grecov)); psg_abort(1);}
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' "); psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( (((dm[C] == 'y') && (dm2[C] == 'y')) && (STUD[A] == 'y')) )
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' if STUD='y'"); psg_abort(1); }
if( dpwr > 50 )
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ text_error ("Deuterium decoupling power too high ! "); psg_abort(1); }
if ((ncyc > 1 ) && (ix == 1))
{ text_error("mixing time is %f ms.\n",(ncyc*97.8*4*p_d)); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B]=='y') lk_sample();
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rfC);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(grecov/2);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rfC);
delay(tau2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2);
decpwrf(rfC);
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
delay(grecov+2.0e-6);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rfC);
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
delay(grecov + pwN);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfC);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (STUD[A]=='y') decpower(studlvl);
else
{
decpower(dpwr);
dec2power(dpwr2);
}
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
if(dm3[B] == 'y')
delay(0.5*del - gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - POWER_DELAY);
else
delay(0.5*del - gt1 - 2.0*GRADIENT_DELAY - POWER_DELAY);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
decpower(dpwr); /* POWER_DELAY */
if (dm3[B]=='y') lk_sample();
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
setreceiver(t11);
}
void pulsesequence()
{
char codec[MAXSTR], codecseq[MAXSTR];
int icosel, t1_counter;
double d2_init = 0.0,
rf0 = 4095, rf200, pw200,
copwr, codmf, cores, copwrf,
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
compC = getval("compC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
sw1 = getval("sw1"),
swH = getval("swH"),
swC = getval("swC"),
swN = getval("swN"),
swTilt,
angle_H = getval("angle_H"),
angle_C = getval("angle_C"),
angle_N,
cos_H,
cos_C,
cos_N,
mix = getval("mix"),
tauCH = getval("tauCH"), /* 1/4JCH */
tauNH = getval("tauNH"), /* 1/4JNH */
tau1, tau2, tau3,
tofali =getval("tofali"), /* aliphatic protons offset */
dofcaco =getval("dofcaco"), /* offset for caco decoupling, ~120 ppm */
dof = getval("dof"),
gstab = getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9");
/* LOAD VARIABLES */
copwr = getval("copwr"); copwrf = getval("copwrf");
codmf = getval("codmf"); cores = getval("cores");
getstr("codecseq", codecseq); getstr("codec", codec);
/* Load phase cycling variables */
settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 1, phi3);
settable(t4, 8, phi4); settable(t5, 1, phi5); settable(t14, 2, phi14);
settable(t11, 8, rec);
angle_N=0.0; cos_N=0.0;
/* activate auto-calibration flags */
setautocal();
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
pw200 = getval("pw200");
rf200 = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rf200 = (int) (rf200 + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1); }
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(codecseq,"Pdec_154p");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000;
/* 1 ms long pulse, nst: number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
bw=20.0*ppm; ofs=154*ppm;
Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl);
}
rf200 = stC200.pwrf; pw200 = stC200.pw;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{ printf("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ printf("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if ((dpwr > 48) || (dpwr2 > 48))
{ printf("don't fry the probe, dpwr too high! "); psg_abort(1); }
/* set up angles for PR42 experiments */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_H < 0 || angle_C < 0 || angle_H > 90 || angle_C > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180); cos_C = cos (PI*angle_C/180);
if ( (cos_H*cos_H + cos_C*cos_C) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_N = sqrt(1 - (cos_H*cos_H + cos_C*cos_C) ); angle_N = acos(cos_N)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); }
swTilt = swH*cos_H + swC*cos_C + swN*cos_N;
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t1, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t2, 1, 4); tsadd(t14,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1, 1, 4); tsadd(t2,1,4); tsadd(t14,1,4); } /* SS */
if ( phase2 == 1 ) { tsadd(t5,2,4); icosel = 1; }
else icosel = -1;
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau3 = 1.0 * t1_counter * cos_N / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 =tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_H: %5.2f \n", angle_H);
printf ("Angle_C: %5.2f \n", angle_C);
printf ("Angle_N: %5.2f \n", angle_N);
printf ("\n\n\n\n\n");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tofali); obspower(tpwr); obspwrf(4095.0);
decoffset(dof); decpower(pwClvl); decpwrf(rf0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,10.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
}
txphase(t1); decphase(t2); dec2phase(zero);
status(B);
rgpulse(pw,t1,4.0e-6,2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(2.0*tauCH - gt3 - 2.0*GRADIENT_DELAY -4.0e-6);
decrgpulse(pwC,t2,2.0e-6,2.0e-6);
decphase(zero);
/*======= Start of c13 evolution ==========*/
if ( ((tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6)> 0)
&& ((tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6)>0)
&& (codec[A] == 'y') )
{
decpower(copwr); decpwrf(copwrf);
decprgon(codecseq,1/codmf,cores);
decon();
delay(tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6);
decoff();
decprgoff();
}
else if ( (tau2 -pwN - 2.0*pwC/PI -2.0e-6) > 0)
{
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
}
else
{
delay(2.0*tau2);
decphase(t14);
delay(4.0e-6);
sim3pulse(2.0*pw, 2.0*pwC, 2.0*pwN, t1, t14, zero, 0.0, 0.0);
delay(4.0e-6);
}
decpower(pwClvl);
decpwrf(rf0);
decphase(zero);
/*======= End of c13 evolution ==========*/
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(2.0*tauCH + tau1 - gt3 - 4.0*pwC
- gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
/* ===========Beginning of NOE transfer ======= */
delay(mix - gt4 - gt5 - pwN -pwC - 2.0*gstab);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(gstab);
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
/* H2O relaxes back to +z */
/* =========== End of NOE transfer ======= */
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(tauNH - gt6 - 4.0e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt6 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(gstab);
rgpulse(pw,one,2.0e-6,2.0e-6);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco); /* offset on 120ppm for CaCO decoupling */
decpwrf(rf200); /* fine power for stC200 */
delay(gstab);
dec2rgpulse(pwN,t3,2.0e-6,2.0e-6);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
decshaped_pulse("stC200", 1.0e-3, zero, 2.0e-6, 2.0e-6);
delay(tau3);
delay(gt1 +gstab +8.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 2.0e-6, 2.0e-6);
dec2phase(t5);
zgradpulse(gzlvl1, gt1);
delay(gstab + WFG_START_DELAY + WFG_STOP_DELAY - 2.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 2.0e-6, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(tauNH - gt8 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt8 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(one);
delay(gstab);
sim3pulse(pw, 0.0, pwN, one, zero, one, 2.0e-6, 2.0e-6);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -gstab -4.0e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
delay((gt1/10.0) +gstab -2.0e-6 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
char
autocal[MAXSTR],
shname1[MAXSTR],
shname2[MAXSTR],
ipap_flg[MAXSTR],
ab_flg[MAXSTR],
f1180[MAXSTR],
SE[MAXSTR], /*Use Sensitivity Enhancement */
c13refoc[MAXSTR],
refpat[MAXSTR], /* pulse shape pattern refocus. pulse*/
hetsofast_flg[MAXSTR],
grad3_flg[MAXSTR]; /*gradient flag */
int
t1_counter,
phase;
double d2_init=0.0,
pwS,pwS1,pwS2,
tpwrsf = getval("tpwrsf"),
adjust = getval("adjust"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gstab = getval("gstab"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
shlvl1 = getval("shlvl1"),
shlvl2 = getval("shlvl2"),
shdmf2 = getval("shdmf2"),
shbw = getval("shbw"),
shpw1 = getval("shpw1"),
shpw2 = getval("shpw2"),
shpw3 = 0.0,
shofs = getval("shofs"),
flipangle = getval("flipangle"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
tau1,
taunh = 1.0/(2.0*getval("JNH"));
void compo_pulse();
void compo1_pulse();
void makeshape_pc9();
void makeshape_refoc();
void makeshape_ndec();
getstr("autocal",autocal);
getstr("f1180",f1180);
getstr("c13refoc",c13refoc);
getstr("hetsofast_flg",hetsofast_flg);
getstr("refpat", refpat); /* pulse pattern refocussing pulse */
getstr("ipap_flg",ipap_flg);
getstr("grad3_flg",grad3_flg);
getstr("ab_flg",ab_flg);
getstr("SE",SE);
getstr("shname1",shname1);
getstr("shname2",shname2);
pwS = c_shapedpw("sech",200.0,0.0,zero, 0.0, 0.0);
pwS1 = hn_simshapedpw(refpat,shbw,shofs-4.8,"isnob3",50.0,0.0, zero, zero, 0.0, 0.0);
pwS2 = h_shapedpw(refpat,shbw,3.5,zero, 0.0, 0.0);
if (hetsofast_flg[0] == 'a')
shpw3 = h_shapedpw("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
if (hetsofast_flg[0] == 'b')
shpw3 = h_shapedpw("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,2,phi2);
if (autocal[0] == 'y')
{
(void) makeshape_pc9(flipangle, shbw, shofs); /*create pc9 pulse*/
sh90 = getRsh("hn_pc9");
shpw1 = sh90.pw;
shlvl1 = sh90.pwr;
sprintf(shname1,"hn_pc9");
(void) makeshape_refoc(refpat, shbw, shofs); /* create refocussing pulse */
shref = getDsh("hn_refoc");
shpw2 = shref.pw;
shlvl2 = shref.pwr;
shdmf2 = shref.dmf;
sprintf(shname2,"hn_refoc");
if (dmm2[2] == 'p') /* waveform capability present on channel 3 */
{
(void) makeshape_ndec(); /* create n15 wurst decoupling */
shdec = getDsh("hncompdec");
dpwr2 = shdec.pwr;
dmf2 = shdec.dmf;
dres2 = shdec.dres;
sprintf(dseq2,"hncompdec");
}
}
if (tpwrsf <4095.0) shlvl2 = shlvl2+6.0;
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
if (f1180[0] == 'y') tau1 = tau1-pwN*4.0/3.0;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t2,2,4); }
status(A);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obsoffset(tof);
obspower(tpwr);
/**********************************************/
if (hetsofast_flg[0] != 'n')
{
if (hetsofast_flg[0] == 'a')
h_shapedpulse("isnob5",4.0,-3.0,two, 2.0e-6, 2.0e-6);
if (hetsofast_flg[0] == 'b')
h_shapedpulse("gaus180",0.015,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
delay(d1-gt2-shpw3);
lk_hold();
}
else
{
zgradpulse(gzlvl2, gt2);
delay(gstab);
delay(d1-gt2);
lk_hold();
}
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);
if (SE[0] == 'y')
{
if (ipap_flg[0] == 'y')
{
if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
if (grad3_flg[0]== 'y')
delay(taunh*0.5-shpw1*0.533-pwS1*0.5+(gt3*2.0+2.0*gstab+pwN*3.0));
else
delay(taunh*0.5-shpw1*0.533-pwS1*0.5+pwN);
hn_simshapedpulse(refpat,shbw,shofs-4.8,"bip720_50_20",40.0,0.0, zero, zero, 0.0, 0.0);
obspower(shlvl2);
obspwrf(4095.0);
compo1_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS,taunh,pwS1,pwS2,gt1,gt3,gzlvl3,grad3_flg,gstab);
obspower(shlvl2);
obspwrf(4095.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
h_sim3shapedpulse(refpat,shbw,shofs-4.8,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh*0.5-gt1-gstab-POWER_DELAY-pwS1*0.5);
if ((tau1+pwN*2.0) < pwS2) delay((pwS2*0.5-tau1*0.5-pwN)*0.5);
if (ab_flg[0] == 'a')
dec2rgpulse(pwN,one,0.0,0.0);
else
dec2rgpulse(pwN,three,0.0,0.0);
if (grad3_flg[0]== 'y')
{
delay(gt3+gstab);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
}
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
if ((tau1+pwN*2.0) < pwS2)
delay(taunh-gt1-gstab-shpw1*0.533-adjust-(pwS2*0.5-tau1*0.5-pwN)*0.5);
else
delay(taunh-gt1-gstab-shpw1*0.533-adjust);
obspower(shlvl2);
obspwrf(tpwrsf);
compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
obspower(shlvl1);
obspwrf(4095.0);
zgradpulse(gzlvl1, gt1);
delay(gstab);
if ((tau1+pwN*2.0) < pwS2)
delay(taunh-gt1-gstab-POWER_DELAY-(pwS2*0.5-tau1*0.5-pwN)*0.5);
else
delay(taunh-gt1-gstab-POWER_DELAY);
}
}
else
{
if ((ni == 0) || (ni == 1))
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-WFG_START_DELAY+pwN*4.0-shpw1*0.533-adjust);
obspwrf(tpwrsf);
obspower(shlvl2);
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay(shpw2);
obsprgoff();
obsblank();
xmtroff();
obspower(shlvl2);
obspwrf(4095.0);
dec2rgpulse(pwN,t1,0.0,0.0);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
dec2rgpulse(pwN,zero,0.0,0.0);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-shpw1*0.533-adjust);
obspower(shlvl2);
obspwrf(tpwrsf);
compo_pulse(shname2,shpw2,pwN,shdmf2,t1,tau1,c13refoc,pwS);
obspower(shlvl1);
obspwrf(4095.0);
}
if (ipap_flg[0] == 'y')
{
if (ab_flg[0] == 'b')
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-pwN-POWER_DELAY);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh*0.5-gt1-pwN-gstab);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
delay(taunh*0.5-pwN-POWER_DELAY);
}
}
else
{
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taunh-gt1-gstab-POWER_DELAY);
}
}
dec2power(dpwr2);
lk_sample();
setreceiver(t2);
status(C);
}
pulsesequence()
{
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t1 @ halfdwell */
CCdseq[MAXSTR],
CChomodec[MAXSTR], /* Setup for C-imino - C-H6 */
pwC_Sel_Shape[MAXSTR], /* Selective C 180 refocusing pulse */
pwH_Sel_Shape[MAXSTR]; /* Selective H 180 refocusing pulse */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
ni2 = getval("ni2"),
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
CCdpwr = getval("CCdpwr"), /* power level for CC decoupling */
CCdres = getval("CCdres"), /* dres for CC decoupling */
CCdmf = getval("CCdmf"), /* dmf for CC decoupling */
lambda = 1.0/(4*getval("JCH")), /* 1/4J H1 evolution delay */
taucc = 1.0/(4*getval("JCC")), /* 1/4J CC evolution delay */
delta_cc = 1.0/(4*getval("JCC")), /* 1/4J CC evolution delay */
pwH_Sel_pw = getval("pwH_Sel_pw"), /* 180 Pulse selective pulse*/
pwH_Sel_lvl = getval("pwH_Sel_lvl"), /* 180 Pulse selective pulse power level*/
pwC_Sel_pw = getval("pwC_Sel_pw"), /* 180 C Pulse selective pulse*/
pwC_Sel_lvl = getval("pwC_Sel_lvl"), /* 180 C Pulse selective pulse power level*/
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
calC = getval("calC"), /* multiplier on a pwC pulse for calibration */
dofa,
calH = getval("calH"), /* multiplier on a pw pulse for H1 calibration */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
gstab = getval("gstab"), /* Gradient recovery delay, probe-dependent */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("CCdseq",CCdseq);
getstr("CChomodec",CChomodec);
getstr("f2180",f2180);
getstr("pwH_Sel_Shape",pwH_Sel_Shape);
getstr("pwC_Sel_Shape",pwC_Sel_Shape);
/* LOAD PHASE TABLE */
settable(t1,8,phi1);
settable(t2,4,phi2);
settable(t3,2,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t6,1,phi6);
settable(t9,16,phi9);
settable(t11,16,rec);
/* reset calH and calC if the user forgets */
if (ni>1.0)
{
calH=1.0; calC=1.0;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((ni/sw1) > (4*taucc - 2*gt4))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)((4*taucc - 2*gt4)*sw1)) ); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' "); psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr > 49 )
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
if( dpwr2 > 47 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ( ni/sw1 > 4.0*taucc)
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)(4*taucc*sw1)) ); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel=1;
if (phase1 == 2)
{
tsadd(t1,1,4);
tsadd(t4,1,4);
tsadd(t5,1,4);
}
if (phase2 == 2)
{
tsadd(t6,2,4);
icosel = -1;
}
else icosel = 1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{
tsadd(t1,2,4);
tsadd(t4,2,4);
tsadd(t5,2,4);
tsadd(t11,2,4);
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
/* BEGIN PULSE SEQUENCE */
status(A);
dofa = dof - 35.0*dfrq; /*start at C2' */
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
rcvroff();
status(B);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab/2);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(calH*pw,zero,0.0,0.0); /* 1H pulse excitation */
decphase(t4);
delay(2.0*lambda);
decrgpulse(calC*pwC, t4, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
obspower(pwH_Sel_lvl);
decphase(zero);
delay(taucc -lambda - gt3 - WFG2_START_DELAY - pwH_Sel_pw/2.0 + 70.0e-6);
shaped_pulse(pwH_Sel_Shape, pwH_Sel_pw, zero, 0.0, 0.0);
delay(lambda - pwH_Sel_pw/2.5);
decrgpulse(2.0*pwC, t1, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
obspower(tpwr);
decphase(t5);
txphase(t2);
delay(taucc - gt3);
simpulse(pw, pwC, t2, t5, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
txphase(zero);
decphase(t3);
delay(2*taucc + tau1 - gt4);
decrgpulse(2.0*pwC, t3, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(2.0*taucc - tau1 - gt4);
dofa = dof - 17.5*dfrq; /*change to C1' */
decoffset(dofa);
/* ffffffffffffffffffff BEGIN SENSITIVITY ENHANCE fffffffffffffffffffff */
decrgpulse(pwC, zero, 0.0, 0.0);
if (CChomodec[A]=='y')
{
delay(delta_cc);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(delta_cc);
decpower(CCdpwr); decphase(zero);
decprgon(CCdseq,1.0/CCdmf,CCdres);
decon(); /* CC decoupling on */
delay(tau2);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau2);
decoff(); decprgoff(); /* CC decoupling off */
decpower(pwC_Sel_lvl);
zgradpulse(icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
decshaped_pulse(pwC_Sel_Shape, pwC_Sel_pw, t9, 0.0, 0.0);
zgradpulse(-1.0*icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
decphase(t6);
decpower(pwClvl);
delay(gstab);
}
else
{
decphase(zero);
zgradpulse(icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
delay(delta_cc + tau2);
decrgpulse(2.0*pwC, t9, 0.0, 0.0);
zgradpulse(-1.0*icosel*gzlvl1, gt1/2.0); /* 2.0*GRADIENT_DELAY */
decphase(t6);
delay(delta_cc - tau2);
}
simpulse(pw, pwC, zero, t6, 0.0, 0.0);
decpower(pwC_Sel_lvl);
decphase(two);
zgradpulse(gzlvl5, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simshaped_pulse("",pwC_Sel_Shape, 2.0*pw,pwC_Sel_pw, zero, two, 0.0, 0.0);
decpower(pwClvl);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(one);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simpulse(pw, pwC, one, one, 0.0, 0.0);
decpower(pwC_Sel_lvl);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
simshaped_pulse("",pwC_Sel_Shape, 2.0*pw,pwC_Sel_pw, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(lambda - pwC_Sel_pw/2.0 - gt5);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl2, gt1/8.0); /* 2.0*GRADIENT_DELAY */
delay(gstab/2-2.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decpower(dpwr); /* POWER_DELAY */
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(-1.0*gzlvl2, gt1/8.0); /* 2.0*GRADIENT_DELAY */
delay(gstab/2 -2.0*POWER_DELAY-2.0*GRADIENT_DELAY);
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char
f1180[MAXSTR],satmode[MAXSTR],abfilter[MAXSTR];
int phase,t1_counter,icosel,ni,first_FID;
double /* DELAYS */
tauhn,
taunco,
tau1, /* t1/2 */
/* COUPLINGS */
jhn = getval("jhn"),
jnco = getval("jnco"),
/* PULSES */
pw180offca = getval("pw180offca"), /* PW180 for off-res ca nucleus @ rf180offca */
pw90onco, /* PW90 for on-res co nucleus @ rf90onco */
pw180onco, /* PW180 for on-res co nucleus @ rf90onco */
pwN = getval("pwN"), /* PW90 for N-nuc */
pwC = getval("pwC"), /* PW90 for C-nuc */
pwHs = getval("pwHs"), /* pw for water selective pulse */
/* POWER LEVELS */
satpwr = getval("satpwr"), /* low power level for presat */
pwClvl = getval("pwClvl"), /* power level for C hard pulses */
pwNlvl = getval("pwNlvl"), /* power level for N hard pulses */
rf90onco, /* power level for CO 90 pulses */
rf180onco, /* power level for CO 180 pulses */
rf180offca, /* power level for off-res Ca 180 pulses */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
/* CONSTANTS */
sw1 = getval("sw1"),
dof = getval("dof"),
kappa,
dofca,
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power adustment for first soft pulse*/
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
/* GRADIENT DELAYS AND LEVES */
gstab = getval("gstab"),
gt0 = getval("gt0"), /* gradient time */
gt1 = getval("gt1"), /* gradient time */
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"), /* level of gradient */
gzlvl1 = getval("gzlvl1"), /* level of gradient */
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5");
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf180offca = (compC*4095.0*pwC*2.0)/pw180offca;
rf180offca = (int) (rf180offca + 0.5);
/* LOAD VARIABLES */
ni = getval("ni");
phase = (int) (getval("phase") + 0.5);
getstr("satmode",satmode);
getstr("f1180",f1180);
getstr("abfilter",abfilter);
/* check validity of parameter range */
if (dm[A] == 'y')
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if (dm2[A] == 'y')
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if ( satpwr > 8 )
{
printf("satpwr too large !!! ");
psg_abort(1);
}
if ( dpwr > 50 )
{
printf("don't fry the probe, dpwr too large! ");
psg_abort(1);
}
if ( dpwr2 > 50 )
{
printf("don't fry the probe, dpwr2 too large! ");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 1, phi4);
settable(t5, 4, phi5);
settable(t7, 4, phi7);
/* INITIALIZE VARIABLES AND POWER LEVELS FOR PULSES */
tauhn = 1/(4.0*95.0); /* initialize */
taunco = 1/(4.0*15.0); /* initialize */
tauhn = ((jhn != 0.0) ? 1/(4*(jhn)) : 2.25e-3);
taunco = ((jnco !=0.0) ? 1/(4*(jnco)) : 16.6e-3);
kappa=(gt1 +gstab + (4.0/PI)*pwN + WFG_START_DELAY + pw180offca)/(0.5*ni/sw1)-0.001;
if (kappa > 1.0)
{
kappa=1.0-0.01;
}
if (ix == 1)
printf("semi-constant-time factor %4.6f\n",kappa);
dofca = dof - 118.0*dfrq;
if((getval("arraydim") < 1.5) || (ix==1))
first_FID = 1;
else
first_FID = 0;
/* 90 degree pulse on CO, null at Ca 118ppm away */
pw90onco = sqrt(15.0)/(4.0*118.0*dfrq);
rf90onco = (compC*4095.0*pwC)/pw90onco;
rf90onco = (int) (rf90onco + 0.5);
if(rf90onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw90onco -> rf90onco (%.0f)\n", rf90onco);
rf90onco = 4095.0;
pw90onco = pwC;
}
/* 180 degree pulse on CO, null at Ca 118ppm away */
pw180onco = sqrt(3.0)/(2.0*118.0*dfrq);
rf180onco = (compC*4095.0*pwC*2.0)/pw180onco;
rf180onco = (int) (rf180onco + 0.5);
if(rf180onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw180onco -> rf180onco (%.0f)\n", rf180onco);
rf180onco = 4095.0;
pw180onco = pwC*2.0;
}
pw180offca = pw180onco; rf180offca = rf180onco;
/* Phase incrementation for hypercomplex data */
if (phase == 1) /* Hypercomplex in t2 */
{
icosel = 1;
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
}
else icosel = -1;
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if(ix == 1)
d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if(t1_counter %2)
{
tsadd(t1, 2, 4);
tsadd(t7, 2, 4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (f1180[A] == 'y') tau1 += ( 1.0/(2.0*sw1));
tau1 = tau1/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set decoupler1 power to pwClvl */
decpwrf(rf180onco);
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
obsoffset(tof);
decoffset(dof);
dec2offset(dof2);
/* Presaturation Period */
if (satmode[0] == 'y')
{
rgpulse(d1,zero,rof1,rof1);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
if (tpwrsf_d<4095.0) tpwrs=tpwrs+6.0; /* allow for fine power control via tpwrsf_d */
rcvroff();
dec2phase(zero);
obspwrf(tpwrsf_d); obspower(tpwrs);
shaped_pulse("H2Osinc_d", pwHs, one, rof1, rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,zero,rof1,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab); /* delay for 1/4JHN coupling */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt0 - gstab); /* delay for 1/4JHN coupling */
zgradpulse(gzlvl0,gt0);
delay(gstab -rof1);
dec2phase(zero);
rgpulse(pw,three,rof1,0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
if (abfilter[0] == 'b')
{
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
sim3pulse(0.0*pw,0.0*pw180onco,0.0,zero,zero,zero,rof1,rof1);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
zgradpulse(gzlvl5*1.2,gt5);
dec2phase(t4);
delay(gstab);
sim3pulse(0.0,pw180onco,2.0*pwN,zero,zero,t4,rof1,rof1);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab); /* 1/8J(NCO) */
sim3pulse(0.0*pw,0.0*pw180onco,0.0,zero,zero,zero,rof1,rof1);
delay(0.5*taunco - gt5 - gstab - POWER_DELAY); /* 1/8J(NCO) */
decpwrf(rf180offca);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
dec2phase(one);
dec2rgpulse(pwN,one,0.0,0.0); /* purge for 15N */
}
if (abfilter[0] == 'a')
{
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
sim3pulse(0.0*pw,pw180onco,0.0,zero,zero,zero,rof1,rof1); /* 180 CO */
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
zgradpulse(gzlvl5*1.2,gt5);
dec2phase(t4);
delay(gstab);
sim3pulse(0.0,0.0,2.0*pwN,zero,zero,t4,rof1,rof1); /* 180 15N */
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco); /* 1/8J(NCO) */
sim3pulse(0.0*pw,pw180onco,0.0,zero,zero,zero,rof1,rof1); /* 180 CO */
delay(0.5*taunco - gt5 - gstab - 0.5*pw180onco - POWER_DELAY); /* 1/8J(NCO) */
decpwrf(rf180offca);
zgradpulse(gzlvl5*1.2,gt5);
delay(gstab);
decphase(t5);
dec2phase(zero);
dec2rgpulse(pwN,zero,0.0,0.0); /* purge for 15N */
}
zgradpulse(gzlvl3*1.3,gt3);
delay(gstab);
dec2rgpulse(pwN,t1,0.0,0.0); /* read for 15N */
delay(tau1);
decshaped_pulse("offC3",pw180offca,t5,0.0,0.0);
delay((1-kappa)*tau1);
zgradpulse(gzlvl1,gt1);
delay(gstab);
dec2phase(zero);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(gt1 + gstab + (4.0/PI)*pwN + WFG_START_DELAY + pw180offca - kappa*tau1);
sim3pulse(pw,0.0,0.0,t2,zero,zero,rof1,rof1); /* Pulse for 1H */
zgradpulse(gzlvl5,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab); /* delay=1/4J (NH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
txphase(zero);
dec2phase(zero);
delay(tauhn - gt5 - gstab); /* 1/4J (NH) */
zgradpulse(gzlvl5,gt5);
delay(gstab);
txphase(one);
sim3pulse(pw,0.0,pwN,one,zero,zero,rof1,rof1); /* 90 for 1H and 15N */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u", pwHs, t2, rof1, 0.0);
obspower(tpwr); obspwrf(4095.0);
dec2phase(zero);
zgradpulse(gzlvl5*0.8,gt5);
delay(gstab);
delay(tauhn -gt5 -gstab -2.0*POWER_DELAY -pwHs -WFG_START_DELAY); /* delay=1/4J (NH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
txphase(zero);
dec2phase(t3);
delay(tauhn - gt5 - gstab - 2.0*POWER_DELAY); /* 1/4J (NH) */
zgradpulse(gzlvl5*0.8,gt5);
delay(gstab);
dec2rgpulse(pwN,t3,0.0,0.0);
decpower(dpwr);
dec2power(dpwr2);
delay((gt1/10.0) + gstab - 2.0*POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl2*icosel,gt1*0.1);
delay(gstab);
/* acquire data */
setreceiver(t7);
}
pulsesequence()
{
double tau, rg1 = 2.0e-6,
jXH = getval("jXH"),
mult = getval("mult"),
gt0 = getval("gt0"),
gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"),
gzlvl3 = getval("gzlvl3"),
Gratio = getval("Gratio"),
gstab = getval("gstab"),
compH = getval("compH"),
compX = getval("compX"),
Hpwr = getval("Hpwr"),
jevol = 0.25 / 140.0; /* default for C-13 */
char pshape[MAXSTR], zz[MAXSTR], ad180[MAXSTR], sspul[MAXSTR];
shape hdx; /* HADAMARD stuff */
void setphases();
getstr("pshape", pshape); /* pulse shape as in wavelib */
getstr("sspul", sspul);
getstr("zz", zz);
getstr("ad180", ad180);
if (jXH > 0.0) jevol = 0.25 / jXH;
tau = gt3 + gstab;
if (mult > 0.5)
tau = 2*jevol;
setphases();
/* MAKE PBOX SHAPES */
if (FIRST_FID)
{
ad180sh = pbox_ad180("ad180", pwx, pwxlvl); /* make adiabatic 180 */
if (strcmp(pwpat,"Hdec") == 0)
{
/* make H decoupling shape */
Hdec = pboxHT_dec(pwpat, pshape, jXH, 20.0, pw, compH, tpwr);
Hpwr = Hdec.pwr;
}
}
hdx = pboxHT_F1i(pshape, pwx*compX, pwxlvl); /* HADAMARD stuff */
if (getval("htcal1") > 0.5) /* enable manual power calibration */
hdx.pwr += getval("htpwr1");
/* THE PULSE PROGRAMM STARTS HERE */
status(A);
delay(5.0e-5);
zgradpulse(gzlvl0,gt0);
if (sspul[0] == 'y')
{
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
pre_sat();
if (getflag("wet"))
wet4(zero,one);
decoffset(dof);
decpower(pwxlvl);
obspower(tpwr);
obsoffset(tof);
delay(2.0e-5);
status(B);
rgpulse(pw, v2, rg1, rg1);
delay(jevol - ad180sh.pw/2.0 - 3.0*rg1); /* +rg on both sides */
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
rgpulse(2.0*pw, zero, rg1, rg1);
delay(jevol + ad180sh.pw/2.0 - rg1);
rgpulse(pw, one, rg1, rg1);
zgradpulse(-gzlvl2, gt2);
delay(gstab);
decpower(hdx.pwr);
if (strcmp(pwpat,"") == 0)
decshaped_pulse(hdx.name, hdx.pw, zero, rg1, rg1);
else
{
obspower(Hpwr);
simshaped_pulse(pwpat, hdx.name, hdx.pw, hdx.pw, zero, zero, rg1, rg1);
}
zgradpulse(gzlvl2*1.4, gt2);
decpower(pwxlvl); obspower(tpwr);
if((zz[A] == 'y') && (mult == 0))
{
ifzero(v1);
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
elsenz(v1);
delay(0.5e-3);
endif(v1);
}
else
{
delay(0.5e-3);
decrgpulse(pwx,v1,rg1,rg1);
if(ad180[A]=='y')
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
if(zz[A] == 'y')
delay(tau);
else
{
zgradpulse(gzlvl1,gt1);
delay(tau - gt1 - 2*GRADIENT_DELAY);
}
if(ad180[A]=='y')
{
rgpulse(mult*pw, zero, rg1, rg1);
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
}
else
simpulse(mult*pw,2*pwx,zero,one,rg1,rg1);
delay(tau);
decrgpulse(pwx,zero,rg1,rg1);
}
zgradpulse(gzlvl2/1.7, gt2);
delay(gstab);
rgpulse(pw, zero, rg1, rg1);
delay(jevol - ad180sh.pw/2.0 - 3.0*rg1); /* +rg on both sides */
decshaped_pulse(ad180sh.name, ad180sh.pw, zero, rg1, rg1);
rgpulse(2.0*pw, zero, rg1, rg1);
if(zz[A] == 'y')
{
delay(jevol + ad180sh.pw/2.0 - rg1);
rgpulse(pw, one, rg1, rg1);
zgradpulse(-gzlvl3, gt3);
decpower(dpwr);
delay(gstab);
rgpulse(pw, three, rg1, rof2);
}
else
{
zgradpulse(2.0*gzlvl1/Gratio, gt1/2.0);
decpower(dpwr);
delay(jevol + ad180sh.pw/2.0 - rg1 - gt1/2.0 - 2*GRADIENT_DELAY - POWER_DELAY + rof2);
}
status(C);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
RELAY[MAXSTR], /* Insert HCCH-relay delay */
ribose[MAXSTR], /* ribose CHn groups only */
aromatic[MAXSTR], /* aromatic CHn groups only */
rna_stCshape[MAXSTR], /* calls sech/tanh pulses from shapelib */
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
mag_flg[MAXSTR], /* Flag to use magic-angle gradients */
H2O_flg[MAXSTR],
sspul[MAXSTR],
SHAPE[MAXSTR],
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
delta1,delta2,
ni = getval("ni"),
lambda = 0.94/(4*getval("JCH")), /* 1/4J H1 evolution delay */
tCH = 1/(6.0*getval("JCH")), /* 1/4J C13 evolution delay */
tCC = 1/(8*getval("JCC")),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
/* Sech/tanh inversion pulses automatically calculated by macro "rna_cal" */
/* and string parameter rna_stCshape calls them from your shapelib. */
rfst = 0.0, /* fine power for the rna_stCshape pulse, initialised */
dofa, /* dof shifted to 80 or 120ppm for ribose or aromatic spectra */
/* string parameter stCdec calls stud decoupling waveform from your shapelib.*/
studlvl, /* coarse power for STUD+ decoupling */
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt8 = getval("gt8"),
gt9 = getval("gt9"),
gzcal = getval("gzcal"),
grecov = getval("grecov"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl7 = getval("gzlvl7"), /* triax option */
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9");
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("RELAY",RELAY);
getstr("ribose",ribose);
getstr("aromatic",aromatic);
getstr("H2O_flg",H2O_flg);
getstr("sspul",sspul);
getstr("SHAPE",SHAPE);
getstr("STUD",STUD);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 50ppm sech/tanh inversion */
rfst = (compC*4095.0*pwC*4000.0*sqrt((7.5*sfrq/600+3.85)/0.41));
rfst = (int) (rfst + 0.5);
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 50.0*ppm; pws = 0.001; ofs = 0.0; nst = 500.0;
stC50 = pbox_makeA("rna_stC50", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rfst = stC50.pwrf;
}
strcpy(rna_stCshape, "rna_stC50");
strcpy(rna_stCdec, "wurst80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* RIBOSE spectrum only, centered on 80ppm. */
if (ribose[A]=='y')
dofa = dof - 30.0*dfrq;
/* AROMATIC spectrum only, centered on 120ppm */
else
dofa = dof + 10*dfrq;
/* CHECK VALIDITY OF PARAMETER RANGES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' ))
{ printf("incorrect Dec1 decoupler flags! "); psg_abort(1);}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ printf("incorrect Dec2 decoupler flags! "); psg_abort(1);}
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ printf("Deuterium decoupling power too high ! "); psg_abort(1);}
if( dpwr > 50 )
{ printf("don't fry the probe, dpwr too large! "); psg_abort(1);}
if( dpwr2 > 50 )
{ printf("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
/* CHOICE OF PULSE SEQUENCE */
if ( ((ribose[A]=='y') && (aromatic[A]=='y')) )
{ text_error("Choose ONE of ribose='y' OR aromatic='y' ! ");
psg_abort(1); }
if ( ((aromatic[A]=='y') && (RELAY[A]=='y')) )
{ text_error("No RELAY with aromatic='y' ! ");
psg_abort(1); }
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 4, phi2);
settable(t3, 16, phi3);
settable(t4, 2, phi4);
settable(t11,8, rec);
/* INITIALIZE VARIABLES */
/* Phase incrementation for hypercomplex data */
if ( phase1 == 2 ) /* Hypercomplex in t1 */
tsadd(t1,1,4);
if ( phase2 == 2 )
tsadd(t2,1,4);
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if(ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2)
{
tsadd(t1,2,4);
tsadd(t11,2,4);
}
/* calculate modification to phases based on current t2 values
to achieve States-TPPI acquisition */
if(ix == 1) d3_init = d3;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if(t2_counter % 2)
{
tsadd(t2,2,4);
tsadd(t11,2,4);
}
/* set up so that get (90, -180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if(f1180[A] == 'y')
{
tau1 += (1.0/(2.0*sw1));
}
if (tau1 < 1.0e-6) tau1 = 0.0;
tau1 = tau1/2.0;
/* set up so that get (90, -180) phase corrects in F2 if f2180 flag is y */
tau2 = d3;
if(f2180[A] == 'y')
{
tau2 += (1.0/(2.0*sw2));
}
if (tau2 < 1.0e-6) tau2 = 0.0;
tau2 = tau2/2.0;
if (ni > 1)
delta1 = (double)(t1_counter*(lambda - gt5 - 0.2e-3))/((double)(ni-1));
else delta1 = 0.0;
if (ni2 > 1)
delta2 = (double)(t2_counter*(tCC - 0.6e-3))/((double)(ni2-1));
else delta2 = 0.0;
initval(7.0, v1);
obsstepsize (45.0);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
obspower(tpwr-12);
decpower(pwClvl);
decpwrf(rfC);
dec2power(pwNlvl);
decphase(zero);
dec2phase(zero);
if (sspul[0] == 'y')
{
rgpulse(200*pw, one, 10.0e-6, 0.0e-6);
rgpulse(200*pw, zero, 0.0e-6, 1.0e-6);
}
obspower(tpwr);
xmtrphase(v1);
txphase(t1);
if (dm3[B] == 'y') lk_sample();
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
decrgpulse(pwC, zero, rof1, rof1);
delay(rof1);
zgradpulse(gzlvl0,0.5e-3);
delay(grecov);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
status(B);
rgpulse(pw, t1, 1.0e-4, rof1);
xmtrphase(zero);
txphase(zero);
zgradpulse(gzlvl5,gt5);
/*
decpwrf(rfst);
delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY - POWER_DELAY -
WFG2_START_DELAY - 0.5e-3 + 70.0e-6 + tau1);
decshaped_pulse(rna_stCshape, 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - delta1);
rgpulse(2.0*pw, zero, 0.0, rof1);
txphase(one);
decpwrf(rfC);
zgradpulse(gzlvl5,gt5);
delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY - POWER_DELAY - 0.5e-3 + 70.0e-6);
*/
delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY + tau1);
decrgpulse(2*pwC, zero, 0.0, 0.0);
delay(tau1 - delta1);
rgpulse(2.0*pw, zero, 0.0, rof1);
txphase(one);
zgradpulse(gzlvl5,gt5);
delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY);
rgpulse(pw, one, 0.0, rof1);
decphase(t2);
txphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl3,gt3);
else
zgradpulse(gzlvl3,gt3);
delay(grecov);
decrgpulse(pwC, t2, rof1, 0.0);
decphase(zero);
delay(tau2);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tCH - 2*pwN);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decphase(t3);
delay(tCC - tCH + tau2 - delta2 - 2.0*pw);
decrgpulse(2.0*pwC, t3, 0.0, 0.0);
decphase(t4);
delay(tCC - delta2);
decrgpulse(pwC, t4, 0.0, rof1);
txphase(zero);
decphase(zero);
if(RELAY[A] == 'y')
{
zgradpulse(gzlvl4, gt4);
delay(tCC - gt4 - GRADIENT_DELAY - pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(tCC - gt4 - GRADIENT_DELAY - pwC);
decrgpulse(pwC, zero, 0.0, 0.0);
}
zgradpulse(gzlvl4,gt4);
delay(tCC - gt4);
decrgpulse(2.0*pwC, zero, 0.0, rof1);
if (H2O_flg[A] == 'y')
{
delay(tCC - gt4 - grecov - POWER_DELAY);
zgradpulse(gzlvl4,gt4);
txphase(one);
decphase(one);
delay(grecov);
decrgpulse(pwC, one, 0.0, rof1);
rgpulse(900*pw, one, 0.0, rof1);
txphase(zero);
rgpulse(500*pw, zero, rof1, rof1);
decphase(one);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl7,gt7);
else
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
simpulse(pw, pwC, zero, one, 0.0, rof1);
decphase(zero);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, rof1);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4);
}
else
{
delay(tCC - tCH - 2.0*pw - POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
zgradpulse(gzlvl4,gt4);
delay(tCH - gt4 - rof1);
}
decrgpulse(pwC, zero, 0.0, rof1);
txphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl8,gt8);
else
zgradpulse(gzlvl8,gt8);
delay(grecov);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
rgpulse(pw, zero, 0.0, rof1);
if (SHAPE[A] =='y')
{
decpwrf(rfst);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
delay(lambda - gt9 - GRADIENT_DELAY - POWER_DELAY - WFG2_START_DELAY - 0.5e-3 + 70.0e-6);
simshaped_pulse("",rna_stCshape,2*pw, 1.0e-3, zero, zero, 0.0, rof1);
decphase(zero);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
decpwrf(rfC);
if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr);
delay(lambda - gt9 -rof1 -0.5*pw - 2*POWER_DELAY - GRADIENT_DELAY - 0.5e-3 + 70.0e-6);
}
else
{
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
delay(lambda - gt9 - GRADIENT_DELAY);
simpulse(2*pw, 2*pwC, zero, zero, 0.0, rof1);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl9,gt9);
else
zgradpulse(gzlvl9,gt9);
if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr);
delay(lambda - gt9 -rof1 -0.5*pw - POWER_DELAY - GRADIENT_DELAY);
}
rgpulse(pw, zero, rof1, rof2);
rcvron();
if (dm3[B] == 'y') lk_sample();
setreceiver(t11);
if ((STUD[A]=='y') && (dm[C] == 'y'))
{
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
CT[MAXSTR],
refocN15[MAXSTR],
refocCO[MAXSTR], COshape[MAXSTR],
C180shape[MAXSTR];
int t1_counter,icosel; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tauch = getval("tauch"), /* 1/4J evolution delay */
tauch1 = getval("tauch1"), /* 1/4J or 1/8JC13H evolution delay */
timeCC = getval("timeCC"), /* 13C constant-time if needed*/
corrD, corrB, /* small correction delays */
dof_dec = getval("dof_dec"), /*decoupler offset for decoupling during acq - folding */
pwClvl = getval("pwClvl"), /* power for hard C13 pulses */
pwC180lvl = getval("pwC180lvl"), /*power levels for 180 shaped pulse */
pwC180lvlF = getval("pwC180lvlF"),
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwC180 = getval("pwC180"), /* shaped 180 pulse on C13channl */
sw1 = getval("sw1"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
pwCOlvl = getval("pwCOlvl"),
pwCO = getval("pwCO"),
gstab = getval("gstab"),
gstab1 = getval("gstab1"), /* recovery for club sandwitch, short*/
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"), /* other gradients */
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt9 = getval("gt9"),
gzlvl0 = getval("gzlvl0"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl9 = getval("gzlvl9");
getstr("f1180",f1180);
getstr("C180shape",C180shape);
getstr("COshape",COshape);
getstr("refocCO",refocCO);
getstr("refocN15",refocN15);
getstr("CT",CT);
/* LOAD PHASE TABLE */
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t10,1,phix);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
/* CHECK VALIDITY OF PARAMETER RANGES */
/* like in olde good times */
if((dm[A] == 'y' || dm[B] == 'y'))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if((dm2[A] != 'n' || dm2[B] != 'n' || dm2[C] != 'n'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( dpwr2 > 45 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr > 50 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( (pw > 30.0e-6) )
{
text_error("don't fry the probe, pw too high ! ");
psg_abort(1);
}
if( (pwC > 200.0e-6) )
{
text_error("don't fry the probe, pwC too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-TPPI-Haberkorn element */
if (phase1 == 1) {
tsadd(t10,2,4);
icosel = +1;
}
else {
icosel = -1;
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{
tsadd(t2,2,4);
tsadd(t11,2,4);
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 0.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
if(CT[A]=='y') {
refocN15[A]='y';
refocCO[A]='y';
if ( (timeCC-ni/sw1*0.5)*0.5 -pw -pwCO*0.5 -pwN-rof1 <0.2e-6 )
{
text_error("too many increments in t1 for a constant time");
psg_abort(1);
}
}
/*temporary*/
/* correction delays */
corrB=0.0;
corrD=2.0/M_PI*pwC-pw-rof1;
if (corrD < 0.0) {
corrB=-corrD;
corrD=0.0;
}
/* BEGIN PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(4095.0);
decoffset(dof);
obspwrf(4095.0);
delay(d1);
txphase(zero);
decphase(zero);
decrgpulse(pwC, zero, rof1, rof1);
zgradpulse(gzlvl0, gt0);
delay(2.0*gstab);
delay(5.0e-3);
/************ H->C13 */
txphase(zero);
decphase(zero);
rgpulse(pw,zero,rof1,rof1);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(gstab);
zgradpulse(gzlvl5, gt5);
delay(tauch - gt5 -gstab);
simshaped_pulse("hard",C180shape,2.0*pw,pwC180,zero,zero, 0.0, 0.0);
decpower(pwClvl);
decpwrf(4095.0);
txphase(one);
delay(tauch - gt5-gstab);
zgradpulse(gzlvl5, gt5);
delay(gstab);
rgpulse(pw, one, rof1,rof1);
/*** purge */
dec2power(pwNlvl);
dec2pwrf(4095.0);
txphase(zero);
decphase(t2);
delay(gstab);
zgradpulse(gzlvl2, gt2);
delay(3.0*gstab);
/* evolution on t1 */
/* real time here */
if(CT[A]=='n')
{
decrgpulse(pwC, t2, 0.0, 0.0);
decphase(zero);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(tau1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y')
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay(tau1);
/*************** CODING with CLUB sandwitches and BIPS */
zgradpulse(gzlvl3*icosel, gt3);
delay(gstab1);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
zgradpulse(-gzlvl3*icosel, gt3);
delay(gstab1 +rof1*2.0+pw*4.0 +pwC*4.0/M_PI +2.0*POWER_DELAY+2.0*PWRF_DELAY);
if(refocN15[A]=='y') delay(2.0*pwN); /*n15 refocusing */
if(refocCO[A]=='y') /* ghost CO pulse */
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
zgradpulse(-gzlvl3*icosel, gt3);
delay(gstab1);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
zgradpulse( gzlvl3*icosel, gt3);
decpower(pwClvl);
decpwrf(4095.0);
delay(gstab1);
} /* end of if bracket for real-time */
/*^^^^^^^ end of real time */
/* CONSTANT TIME VESION: */
if(CT[A]=='y')
{
decrgpulse(pwC, t2, 0.0, 0.0);
/* timeCC-t1 evolution */
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay((timeCC-tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN-rof1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y' )
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay((timeCC-tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN-rof1);
/* end of timeCC-t1 evolution */
/* 180 on carbons in T1 */
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
/* timeCC+t1 evolution + encoding */
delay((timeCC+tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN -rof1);
obsunblank();
rgpulse(pw,one,rof1,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,rof1);
obsblank();
if(refocN15[A]=='y') dec2rgpulse(2.0*pwN,zero,0.0,0.0); /*n15 refocusing */
if(refocCO[A]=='y' )
{
decpower(pwCOlvl);
decshaped_pulse(COshape,pwCO,zero, 3.0e-6, 3.0e-6);
decpower(pwC180lvl);
}
delay((timeCC+tau1)*0.5 -2.0*pw -pwCO*0.5 -pwN -rof1);
zgradpulse(-gzlvl3*icosel, gt3*2.0); /* coding */
delay(gstab +pwC*4.0/M_PI);
decshaped_pulse(C180shape,pwC180,zero, 2e-6, 2e-6); /* ghost BIP pulse */
zgradpulse(gzlvl3*icosel, gt3*2.0); /* coding */
delay(gstab);
} /*^^^^^^^ end of CONSTANT time bracket*/
/*reverse INPET */
simpulse(pw, pwC, zero, t10, 0.0, 0.0);
delay(gstab);
zgradpulse(gzlvl4,gt4);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(tauch - gt4 - gstab -corrD-pwC180 -POWER_DELAY-PWRF_DELAY);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
delay(corrD);
rgpulse(2.0*pw,zero,rof1,rof1);
zgradpulse(gzlvl4,gt4);
delay(tauch - gt4 - gstab -corrB-pwC180 -POWER_DELAY-PWRF_DELAY);
delay(gstab);
decphase(one);
txphase(one);
decshaped_pulse(C180shape,pwC180,zero, 0.0, 0.0);
decpower(pwClvl);
decpwrf(4095.0);
delay(corrB);
simpulse(pw, pwC, one, one, 0.0, 0.0);
decpower(pwC180lvl);
decpwrf(pwC180lvlF);
delay(gstab-POWER_DELAY-PWRF_DELAY -WFG_START_DELAY);
zgradpulse(gzlvl5,gt5);
delay(tauch1 - gt5 - gstab);
simshaped_pulse("hard",C180shape,2.0*pw,pwC180,zero,zero, 0.0, 0.0);
delay(tauch1- gt5 - gstab - WFG_STOP_DELAY);
zgradpulse(gzlvl5,gt5);
delay(gstab-rof1);
rgpulse(pw, zero,rof1,rof1);
/* echo and decoding */
delay(gstab+gt9-rof1+10.0e-6 + 2.0*POWER_DELAY+PWRF_DELAY +2.0*GRADIENT_DELAY);
decoffset(dof_dec);
rgpulse(2.0*pw, zero,rof1,rof1);
delay(10.0e-6);
zgradpulse(gzlvl9,gt9);
decpower(dpwr);
decpwrf(4095.0);
decoffset(dof_dec);
dec2power(dpwr2); /* POWER_DELAY EACH */
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
char
f1180[MAXSTR],
f2180[MAXSTR],
mag_flg[MAXSTR], /* y for magic angle, n for z-gradient only */
ref_flg[MAXSTR]; /* yes for recording reference spectrum */
int
icosel,
phase,
ni2,
t1_counter,
t2_counter;
double
gzcal = getval("gzcal"),
tau1,
tau2,
taua, /* ~ 1/4JNH = 2.3-2.7 ms] */
taub, /* ~ 2.75 ms */
bigT, /* ~ 12 ms */
bigTCO, /* ~ 25 ms */
bigTN, /* ~ 12 ms */
pwClvl, /* High power level for carbon on channel 2 */
pwC, /* C13 90 degree pulse length at pwClvl */
compC, /* Compression factor for C13 on channel 2 */
pwCa180, /* 180 degree pulse length for Ca */
pwCab180,
pwCO180,
pwNlvl, /* Power level for Nitrogen on channel 3 */
pwN, /* N15 90 degree pulse lenght at pwNlvl */
maxcan, /* The larger of 2.0*pwN and pwCa180 */
dpwrfC = 4095.0,
dfCa180,
dfCab180,
dfCO180,
fac180 = 1.69,
gt1,
gt3,
gt2,
gt0,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl0,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg", mag_flg);
getstr("ref_flg", ref_flg);
taua = getval("taua");
taub = getval("taub");
bigT = getval("bigT");
bigTCO = getval("bigTCO");
bigTN = getval("bigTN");
pwClvl = getval("pwClvl");
pwC = getval("pwC");
compC = getval("compC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
pwCa180 = getval("pwCa180");
pwCab180 = getval("pwCab180");
pwCO180 = getval("pwCO180");
maxcan = 2.0*pwN;
if (pwCa180 > maxcan) maxcan = pwCa180;
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt0 = getval("gt0");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gstab = getval("gstab");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl5 = getval("gzlvl5");
gzlvl0 = getval("gzlvl0");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
dfCa180 = (compC*4095.0*pwC*2.0*fac180)/pwCa180;
dfCab180 = (compC*4095.0*pwC*2.0*fac180)/pwCab180;
dfCO180 = (compC*4095.0*pwC*2.0*fac180)/pwCO180;
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,16,phi4);
settable(t5, 1, phi5);
settable(t10,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((ref_flg[A] == 'y') && (dps_flag))
{
printf("ref_flg=y: for 2D HN-CO or 3D HNCO reference spectrum without CO-HB coupling.\n");
}
if(ni2/sw2 > 2.0*(bigTN))
{
printf(" ni2 is too big, should < %f\n", 2.0*sw2*(bigTN));
}
if((ni/sw1 > 2.0*(bigTCO - gt6 - maxcan))&&(ref_flg[A] == 'y'))
{
printf("ni is too big, should < %f\n", 2.0*sw1*(bigTCO-gt6-maxcan));
}
if(( dpwr > 50 ) || (dpwr2 > 50))
{
printf("don't fry the probe, either dpwr or dpwr2 is too large! ");
psg_abort(1);
}
if((gt1 > 5.0e-3) ||(gt2>5e-3)||(gt3>5e-3)|| (gt0 > 5.0e-3))
{
printf("The length of gradients are too long\n");
psg_abort(1);
}
if((taub - 2.0*pw - gt8 - 1.0e-3 - 6.0*GRADIENT_DELAY)<0.0)
{
printf("Shorten gt8 so that preceding delay is not negative\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
{
if(ref_flg[A] == 'y') tsadd(t1,3,4);
else tsadd(t1, 1, 4);
}
if (phase2 == 2)
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 half_dwell time (1/sw1)/2.0 */
if (ref_flg[A] == 'y') tau1 = d2;
else tau1 = d2 - (4.0*pw/PI);
if(f1180[A] == 'y')
{
tau1 += (1.0/(2.0*sw1));
}
if(tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/4.0;
/* Set up f2180 half dwell time (1/sw2)/2.0 */
tau2 = d3;
if(f2180[A] == 'y')
{
tau2 += (1.0/(2.0*sw2));
}
if(tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{
tsadd(t1,2,4);
tsadd(t10,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t2,2,4);
tsadd(t10,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tpwr);
decpower(pwClvl);
decpwrf(dpwrfC);
dec2power(pwNlvl);
txphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.2e-6, 0.0);
zgradpulse(gzlvl3, gt3);
delay(0.001);
rcvroff();
status(B);
rgpulse(pw, zero, 1.0e-5, 1.0e-6);
delay(2.0e-6);
zgradpulse(0.8*gzlvl0,gt0);
delay(taua - gt0 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0,2.0*pwN,zero,zero,zero, 1.0e-6, 1.0e-6);
delay(taua - gt0 - 500.0e-6);
zgradpulse(0.8*gzlvl0,gt0);
txphase(one);
delay(500.0e-6);
rgpulse(pw, one, 1.0e-6, 1.0e-6);
delay(2.0e-6);
zgradpulse(1.3*gzlvl3, gt3);
decpwrf(dfCO180);
txphase(zero);
delay(200.0e-6);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl0, gt0);
delay(taub - gt0 - 2.0*pw - 2.0e-6);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(bigT - taub - WFG3_START_DELAY);
sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,zero,0.0,0.0);
delay(bigT - gt0 - WFG3_STOP_DELAY - 1.0e-3);
zgradpulse(gzlvl0, gt0);
delay(1.0e-3);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(2.0e-6);
zgradpulse(gzlvl9, gt9);
decpwrf(dpwrfC);
decphase(t3);
delay(200.0e-6);
if(ref_flg[A] != 'y')
{
decrgpulse(pwC, t3, 0.0, 0.0);
delay(2.0e-6);
if(gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCO180);
txphase(t1);
delay(bigTCO - gt6 - 2.0e-6);
rgpulse(pw, t1, 0.0, 0.0);
if(tau1 >(pwCab180/2.0 + WFG_START_DELAY +WFG_STOP_DELAY+ POWER_DELAY + pwCO180/2.0))
{
decpwrf(dfCab180);
delay(tau1 - pwCab180/2.0 - WFG_START_DELAY - POWER_DELAY);
decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0);
decpwrf(dfCO180);
delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
decpwrf(dfCab180);
delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY);
decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0);
txphase(zero);
delay(tau1 - pwCab180/2.0 - WFG_STOP_DELAY);
}
else
{
delay(2.0*tau1);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
txphase(zero);
delay(2.0*tau1);
}
rgpulse(pw, zero, 0.0, 0.0);
delay(bigTCO - gt6 - POWER_DELAY - 1.0e-3);
if (gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dpwrfC);
delay(1.0e-3);
decrgpulse(pwC, zero, 0.0, 0.0);
}
else
{
decrgpulse(pwC, t3, 0.0, 0.0);
decpwrf(dfCa180);
sim3shaped_pulse("","offC17","",0.0e-6,pwCa180,0.0e-6,zero,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
if(gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCO180);
delay(bigTCO - 2.0*tau1 - maxcan - gt6 - 2.0*POWER_DELAY - 4.0e-6);
decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0);
delay(bigTCO - gt6 - maxcan - 2.0*POWER_DELAY - 1.0e-3);
if (gt6 > 0.2e-6)
zgradpulse(gzlvl6, gt6);
decpwrf(dfCa180);
delay(1.0e-3);
sim3shaped_pulse("","offC17","",2.0*pw,pwCa180,2.0*pwN,zero,zero,zero,0.0,0.0);
decpwrf(dpwrfC);
delay(2.0*tau1);
decrgpulse(pwC, t1, 2.0e-6, 0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl7, gt7);
decpwrf(dfCO180);
dec2phase(t2);
delay(200.0e-6);
dec2rgpulse(pwN, t2, 0.0, 0.0);
delay(bigTN - tau2);
dec2phase(t4);
sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,t4,0.0,0.0);
decpwrf(dfCa180);
delay(bigTN - taub - WFG_STOP_DELAY - POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(taub - 2.0*pw - gt1 - 1.0e-3 - 6.0*GRADIENT_DELAY);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(4.0*GRADIENT_DELAY);
}
dec2phase(t5);
delay(1.0e-3);
decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0);
delay(tau2);
sim3pulse(pw,(double)0.0, pwN, zero,zero, t5, 0.0, 0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
delay(taua - gt5 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taua - gt5 - 500.0e-6);
zgradpulse(0.8*gzlvl5, gt5);
txphase(one);
decphase(one);
delay(500.0e-6);
sim3pulse(pw,(double)0.0, pwN, one,zero, one, 0.0, 0.0);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(taua - gt5 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0);
delay(taua - gt5 - 2.0*POWER_DELAY - 500.0e-6);
zgradpulse(gzlvl5, gt5);
decpower(dpwr);
dec2power(dpwr2);
delay(500.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(1.0e-4 +gstab + gt1/10.0 - 0.5*pw + 6.0*GRADIENT_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.0e-6);
if(mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
delay(4.0*GRADIENT_DELAY);
}
delay(1.0e-4 - 2.0e-6);
statusdelay(C,1.0e-4);
setreceiver(t10);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char
f1180[MAXSTR],
semitrosy[MAXSTR]; /* flag for selecting either fast relaxing peak in 1H or 15N-dimension
*/
int phase,t1_counter,icosel;
double /* DELAYS */
JNH = getval("JNH"),
tau1,tauhn,
/* PULSES */
pwN = getval("pwN"), /* PW90 for N-nuc */
pwC = getval("pwC"), /* PW90 for C-nuc */
/* POWER LEVELS */
pwClvl = getval("pwClvl"), /* power level for C hard pulses */
pwNlvl = getval("pwNlvl"), /* power level for N hard pulses */
/* CONSTANTS */
sw1 = getval("sw1"),
dof = getval("dof"),
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse(down)*/
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
compH =getval("compH"),
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
/* GRADIENT DELAYS AND LEVELS */
gt0 = getval("gt0"), /* gradient time */
gt1 = getval("gt1"), /* gradient time */
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gstab = getval("gstab"), /* stabilization delay */
gzlvl0 = getval("gzlvl0"), /* level of gradient */
gzlvl1 = getval("gzlvl1"), /* level of gradient */
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"), /* level of gradient */
gzlvl5 = getval("gzlvl5");
/* LOAD VARIABLES */
phase = (int) (getval("phase") + 0.5);
ni = getval("ni");
getstr("f1180",f1180);
getstr("semitrosy",semitrosy);
tauhn=1/(4.0*JNH);
/* check validity of parameter range */
if ((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if ( satpwr > 8 )
{
printf("satpwr too large !!! ");
psg_abort(1);
}
if ( dpwr > 50 )
{
printf("don't fry the probe, dpwr too large! ");
psg_abort(1);
}
if ( dpwr2 > 50 )
{
printf("don't fry the probe, dpwr2 too large! ");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 1, phi4);
settable(t5, 1, phi5);
settable(t6, 1, phi6);
settable(t7, 2, phi7);
settable(t8, 1, phi8);
/* INITIALIZE VARIABLES */
tauhn = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-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 */
if (tpwrsf_d<4095.0)
{
tpwrs=tpwrs+6.0; /* add 6dB to let tpwrsf_d control fine power ~2048*/
}
/* Phase incrementation for hypercomplex data */
icosel = 1; /* initialize */
if ( semitrosy[A] == 'n' ) /* to choose for the semitrosy multiplet in 15N dimension, 'n' */
{
if (phase == 1) /* Hypercomplex in t1 */
{
icosel = -1;
}
if (phase == 2) /* Hypercomplex in t1 */
{
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
icosel = +1;
}
if (phase == 3) /* Hypercomplex in t1 */
{
tsadd(t5, 2, 4);
tsadd(t2, 2, 4);
tsadd(t8, 2, 4);
icosel = -1;
}
if (phase == 4) /* Hypercomplex in t1 */
{
tsadd(t5, 2, 4);
tsadd(t3, 2, 4);
tsadd(t8, 2, 4);
icosel = +1;
}
}
if ( semitrosy[A] == 'h' ) /* to choose for the semitrosy multiplet in 1H dimension, 'h' */
{
if (phase == 1) /* Hypercomplex in t1 */
{
icosel = -1;
}
if (phase == 2) /* Hypercomplex in t1 */
{
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
icosel = +1;
}
if (phase == 3) /* Hypercomplex in t1 */
{
tsadd(t3, 2, 4);
icosel = -1;
}
if (phase == 4) /* Hypercomplex in t1 */
{
tsadd(t2, 2, 4);
icosel = +1;
}
}
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if(ix == 1)
d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if(t1_counter %2)
{
tsadd(t1, 2, 4);
tsadd(t7, 2, 4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (tau1>0.0)
tau1 = tau1 -rof1 -2.0*pwN/PI -4.0*pwC;
if (f1180[A] == 'y') tau1 += ( 1.0/(2.0*sw1));
tau1 = tau1/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set decoupler1 power to pwClvl */
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
obsoffset(tof);
decoffset(dof);
dec2offset(dof2);
/* Presaturation Period */
if (satmode[0] == 'y')
{
rgpulse(d1,zero,rof1,rof1);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
status(B);
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,t8,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0, gt0);
delay(tauhn - gt0); /* delay for 1/4JHN coupling */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(gzlvl0, gt0);
delay(tauhn - gt0); /* delay for 1/4JHN coupling */
rgpulse(pw,t5,rof1,0.0);
zgradpulse(gzlvl3, gt3);
delay(gstab);
dec2rgpulse(pwN,t1,rof1,0.0);
delay(tau1);
if (tau1>0.0)
{
decrgpulse(pwC,zero,rof1,0.0);
decrgpulse(2.0*pwC,one,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
delay(tau1);
zgradpulse(gzlvl1, gt1);
delay(gstab);
dec2rgpulse(2.0*pwN,t4,rof1,rof1);
delay(gt1 + gstab -pwHs +2.0*GRADIENT_DELAY -4.0*POWER_DELAY -2.0*rof1 );
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,t6,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw,t2,rof1,rof1); /* Pulse for 1H */
zgradpulse(gzlvl5, gt5);
delay(tauhn - gt5 -2.0*rof1 -pwN);
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(gzlvl5, gt5);
delay(tauhn - gt5 - 1.5*pwN -2.0*rof1); /* 1/4J (XH) */
sim3pulse(pw,0.0,pwN,one,zero,zero,rof1,rof1); /* 90 for 1H and 15N */
zgradpulse(1.5*gzlvl5, gt5);
delay(tauhn - gt5 -1.5*pwN -2.0*rof1); /* delay=1/4J (XH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(1.5*gzlvl5, gt5);
delay(tauhn - gt5 -2.0*rof1 -pwN/2.0); /* 1/4J (XH) */
dec2rgpulse(pwN,t3,rof1,0.0);
delay(gt1/10.0 -rof1 -pwN/2.0 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, rof1, rof1);
dec2power(dpwr2);
zgradpulse(icosel*gzlvl2, 0.1*gt1);
delay(gstab-rof1);
status(C);
setreceiver(t7);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char imino[MAXSTR], /* Sets dof2 for imino region */
amino[MAXSTR], /* Sets dof2 for amino region */
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int icosel, /* used to get n and p type */
t1_counter;
double tau1, /* t1 delay */
lambdaN = 0.94/(4.0*getval("JNH")), /* 1/4J N-H INEPT delay */
lambdaN_int, /* interval in CPMG train */
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 */
dof2a, /* offset for imino/amino */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
compH = getval("compH"),
ncyc = getval("ncyc"), /* number of cycles in CPMG train */
sw1 = getval("sw1"),
grecov = getval("grecov"),
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3");
getstr("imino",imino);
getstr("amino",amino);
getstr("f1180",f1180);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t9,8,phi9);
settable(t10,1,phi10);
settable(t11,1,phi11);
settable(t12,1,phi12);
settable(t13,1,phi13);
settable(t14,4,rec);
/* INITIALIZE VARIABLES */
/* IMINO-region setting of dof2 */
if (imino[A] == 'y')
dof2a = dof2 - 45*dfrq2;
/* AMINO-region setting of dof2 */
else if (amino[A] == 'y')
dof2a = dof2 - 115*dfrq2;
else
dof2a = dof;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
/* number of cycles and mixing time */
ncyc = (int) (ncyc + 0.5);
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 1)
{ tsadd(t10,2,4); icosel = 1; }
else icosel = -1;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t2,2,4); tsadd(t14,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* CHECK VALIDITY OF PARAMETER RANGE */
if ( ((imino[A]=='y') && (amino[A]=='y')) )
{
printf(" Choose ONE of imino='y' OR amino='y' ");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (ncyc > 24)
{
printf("CPMG heating! Reduce no. of ncyc!! ");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
obsoffset(tof); /* Set the proton frequency to H2O */
dec2offset(dof2a); /* Set the nitrogen frequency to Nh2 or Nh */
decoffset(dof); /* Set the carbon frequency for decoupling */
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(grecov/2);
dec2rgpulse(pwN, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
initval(ncyc,v1);
lambdaN_int = ((2.0*lambdaN)/(2*ncyc));
dec2phase(zero);
delay(5.0e-4);
rcvroff();
rgpulse(pw, zero, 50.0e-6, 0.0);
assign(zero,v5);
if ( ncyc > 0 )
{
loop(v1,v14);
assign(v5,v6); /* v6 = 0, 1, 2, 3, 4, 5, 6, 7, 8, 9*/
hlv(v5,v7); /* v7 = 0, 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, */
hlv(v7,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 2, 2 */
mod2(v6,v6); /* v6 = 0, 1, 0, 1, 0, 1, 0, 1, 0, 1 */
mod2(v8,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 0, 0 */
add(v6,v8,v9); /* v9 = 0, 1, 0, 1, 1, 2, 1, 2, 0, 1 */
mod2(v9,v9); /* v9 = 0, 1, 0, 1, 1, 0, 1, 0, 0, 1*/
hlv(v8,v10); /* v7 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1, 2, 2 */
mod2(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1)*/
dbl(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
2, 2, 2, 2, 2, 2, 2, 2)*/
add(v9,v10,v11); /* v11 = 0, 1, 0, 1, 1, 0, 1, 0,
2, 3, 2, 3, 3, 2, 3, 2)*/
incr(v5); /* increment v5 by 1 */
txphase(v11);
decphase(v11);
delay(lambdaN_int);
sim3pulse(2*pw,0.0,2.0*pwN,v11,zero,v11,0.0,0.0);
delay(lambdaN_int);
endloop(v14);
txphase(t1);
}
rgpulse(pw,t1,0.0, 0.0);
txphase(one);
dec2phase(t2);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, one, 5.0e-4, 0.0);
txphase(t11);
obspower(tpwr);
zgradpulse(gzlvl3,gt3);
delay(grecov);
dec2rgpulse(pwN,t2,0.0,0.0);
dec2phase(t9);
delay(tau1);
rgpulse(2.0*pw, t11, 0.0, 0.0);
delay(tau1);
delay(gt1 + grecov - 2.0*pw - SAPS_DELAY);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(grecov - 2.0*GRADIENT_DELAY);
sim3pulse(pw,0.0,pwN,zero,zero,t10,0.0,0.0);
assign(zero,v5);
if ( ncyc > 0 )
{
loop(v1,v14);
assign(v5,v6); /* v6 = 0, 1, 2, 3, 4, 5, 6, 7, 8, 9*/
hlv(v5,v7); /* v7 = 0, 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, */
hlv(v7,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 2, 2 */
mod2(v6,v6); /* v6 = 0, 1, 0, 1, 0, 1, 0, 1, 0, 1 */
mod2(v8,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 0, 0 */
add(v6,v8,v9); /* v9 = 0, 1, 0, 1, 1, 2, 1, 2, 0, 1 */
mod2(v9,v9); /* v9 = 0, 1, 0, 1, 1, 0, 1, 0, 0, 1*/
hlv(v8,v10); /* v7 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1, 2, 2 */
mod2(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1)*/
dbl(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
2, 2, 2, 2, 2, 2, 2, 2)*/
add(v9,v10,v11); /* v11 = 0, 1, 0, 1, 1, 0, 1, 0,
2, 3, 2, 3, 3, 2, 3, 2)*/
incr(v5); /* increment v5 by 1 */
txphase(v11);
decphase(v11);
delay(lambdaN_int);
sim3pulse(2*pw,0.0,2.0*pwN,v11,zero,v11,0.0,0.0);
delay(lambdaN_int);
endloop(v14);
}
txphase(t12);
dec2phase(t3);
sim3pulse(pw, 0.0, pwN, t12, zero, t3, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
if ( ncyc > 0 )
{
loop(v1,v14);
assign(v5,v6); /* v6 = 0, 1, 2, 3, 4, 5, 6, 7, 8, 9*/
hlv(v5,v7); /* v7 = 0, 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, */
hlv(v7,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 2, 2 */
mod2(v6,v6); /* v6 = 0, 1, 0, 1, 0, 1, 0, 1, 0, 1 */
mod2(v8,v8); /* v7 = 0, 0, 0, 0, 1, 1, 1, 1, 0, 0 */
add(v6,v8,v9); /* v9 = 0, 1, 0, 1, 1, 2, 1, 2, 0, 1 */
mod2(v9,v9); /* v9 = 0, 1, 0, 1, 1, 0, 1, 0, 0, 1*/
hlv(v8,v10); /* v7 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1, 2, 2 */
mod2(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
1, 1, 1, 1, 1, 1, 1, 1)*/
dbl(v10,v10); /* v10 = 0, 0, 0, 0, 0, 0, 0, 0,
2, 2, 2, 2, 2, 2, 2, 2)*/
add(v9,v10,v11); /* v11 = 0, 1, 0, 1, 1, 0, 1, 0,
2, 3, 2, 3, 3, 2, 3, 2)*/
incr(v5); /* increment v5 by 1 */
txphase(v11);
decphase(v11);
delay(lambdaN_int);
sim3pulse(2*pw,0.0,2.0*pwN,v11,zero,v11,0.0,0.0);
delay(lambdaN_int);
endloop(v14);
}
rgpulse(pw, zero, 0.0, 0.0);
txphase(t13);
delay((gt1/10.0) + grecov/2 - 0.5*pw + 2.0*GRADIENT_DELAY - SAPS_DELAY + 2*POWER_DELAY);
rgpulse(2.0*pw, t13, 0.0, 0.0);
decpower(dpwr);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(grecov/2);
status(C);
setreceiver(t14);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char satflg[MAXSTR];
int t1_counter;
double
tau1, tau2, tau3,
pw = getval("pw"),
tpwr= getval("tpwr"),
mix = getval("mix"),
sw1 = getval("sw1"),
jch = getval("jch"),
pwC = getval("pwC"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
tauCH,
sw_hm1 = getval("sw_hm1"),
sw_cm1 = getval("sw_cm1"),
sw_cm2 = getval("sw_cm2"),
pwHs = getval("pwHs"),
swTilt,
angle_hm1 = getval("angle_hm1"),
angle_cm1 = getval("angle_cm1"),
angle_cm2 = getval("angle_cm2"),
cos_hm1, cos_cm1, cos_cm2,
satdly= getval("satdly"),
gstab = getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"), gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9"),
gt10 = getval("gt10"), gzlvl10 = getval("gzlvl10");
cos_cm2=0.0;
getstr("satflg", satflg);
/* LOAD PHASE TABLE */
tauCH = 1.0/4.0/jch;
settable(t1,1,phi1); settable(t2,2,phi2);
settable(t3,4,phi3); settable(t4,8,phi4);
settable(t5,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if (dpwr > 49) {printf("DPWR too large!" ); psg_abort(1); }
if (dpwr2 > 49) {printf("DPWR2 too large!"); psg_abort(1); }
/* Phases and delays related to PR-NMR */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_hm1 < 0 || angle_cm1 < 0 || angle_hm1 > 90 || angle_cm1 > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_hm1 = cos (PI*angle_hm1/180); cos_cm1 = cos (PI*angle_cm1/180);
if ( (cos_hm1*cos_hm1 + cos_cm1*cos_cm1) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_cm2 = sqrt(1 - (cos_hm1*cos_hm1 + cos_cm1*cos_cm1) ); angle_cm2 = acos(cos_cm2)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
swTilt = sw_hm1*cos_hm1 + sw_cm1*cos_cm1 + sw_cm2*cos_cm2;
/* Note the reconstruction software assumes the indirectly determined dimension, here cm2 */
/* always have the phase change first */
if (phase1 == 1) {; } /* CC */
else if (phase1 == 2) { tsadd (t1, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd (t2, 1, 4); } /* CS */
else if (phase1 == 4) { tsadd (t1, 1, 4); tsadd(t2, 1, 4); } /* SS */
if (phase2 ==1) {;} else { tsadd (t3, 1, 4); }
if (t1_counter %2) { tsadd(t3, 2, 4); tsadd(t5, 2, 4); }
tau1 = 1.0*t1_counter*cos_hm1/swTilt;
tau2 = 1.0*t1_counter*cos_cm1/swTilt;
tau3 = 1.0*t1_counter*cos_cm2/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_hm1: %5.2f \n", angle_hm1);
printf ("Angle_cm1: %5.2f \n", angle_cm1);
printf ("Angle_cm2: %5.2f \n", angle_cm2);
printf ("\n\n\n\n\n");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(satfrq); obspower(tpwr); obspwrf(4095.0); txphase(zero);
decoffset(dof); decpower(pwClvl); decpwrf(4095.0); decphase(zero);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0); dec2phase(zero);
/* Crush water and steady state carbon magnetization */
if (satflg[A] == 'y')
{
obspower(satpwr);
rgpulse(satdly, zero, 20.0e-6, 2.0e-6);
obspower(tpwr);
}
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6); /*destroy C13 magnetization*/
zgradpulse(gzlvl0, gt0);
delay(gstab);
if (satflg[A] == 'y')
{
shiftedpulse("sinc", pwHs, 90.0, 0.0, zero, 2.0e-6, 2.0e-6);
}
decrgpulse(pwC, one, 2.0e-6, 2.0e-6);
zgradpulse(0.7*gzlvl0, gt0);
txphase(t1);
delay(gstab);
obsoffset(tof); obspower(tpwr);
status(B);
rgpulse(pw, t1, 2.0e-6, 2.0e-6); /* 1H pulse excitation */
if (tau1 > pwC)
{
delay(tau1 - pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(tau1 - pwC);
}
else
{
delay(2.0*tau1);
}
/* point a */
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(zero); decphase(zero);
delay(tauCH - gt1 - 4.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(tauCH -gt1 -gstab -4.0e-6);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(one);
delay(gstab);
/* point b */
rgpulse(pw, one, 2.0e-6, 2.0e-6);
/* ======================HzCz=================== */
zgradpulse(gzlvl2, gt2);
txphase(zero); decphase(t2);
delay(gstab);
/* ======================HzCz=================== */
decrgpulse(pwC, t2, 2.0e-6, 0.0);
if ((tau2 - 2.0*pwC/PI -pw) > 0 )
{
delay(tau2 - 2.0*pwC/PI - pw);
rgpulse (2.0*pw, zero, 0.0, 0.0);
decphase(zero);
delay(tau2 - 2.0*pwC/PI - pw);
}
else
{
delay(2.0*tau2);
decphase(one); delay(2.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, one, 0.0, 0.0);
decphase(zero); delay(2.0e-6);
}
decrgpulse(pwC, zero, 0.0, 2.0e-6);
/* ======================HzCz=================== */
zgradpulse(gzlvl3, gt3);
txphase(zero);
delay(gstab);
/* ======================HzCz=================== */
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(tauCH - gt4 - 4.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(tauCH - gt4 - gstab -4.0e-6);
zgradpulse(gzlvl4, gt4);
txphase(one);
delay(gstab);
rgpulse(pw, one, 2.0e-6, 2.0e-6);
/* H only, beginning of NOE transfer period */
obsoffset(satfrq);
decphase(zero);
delay(mix - gt5 - gt6 - pwC -1.0e-3 -2.0*pwHs );
txphase(zero);
shiftedpulse("sinc", pwHs, 90.0, 0.0, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5, gt5);
delay(gstab);
txphase(one);
decrgpulse(pwC,zero,2.0e-6, 2.0e-6);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(gstab);
/* End of NOE transfer period */
/* Second HSQC step begins here */
rgpulse(pw,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvl7, gt7);
delay(tauCH - gt7 - 4.0e-6 );
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(tauCH - gt7 - gstab -4.0e-6 );
zgradpulse(gzlvl7, gt7);
txphase(one);
delay(gstab);
rgpulse(pw, one, 2.0e-6, 2.0e-6);
/* ------------HzCz----------------- */
zgradpulse(gzlvl8, gt8);
txphase(zero); decphase(t3);
delay(gstab);
/* ------------HzCz----------------- */
decrgpulse(pwC, t3, 2.0e-6,0.0);
if ( tau3 -2.0*pwC/PI - pw > 0.0 )
{
delay(tau3 - 2.0*pwC/PI - pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decphase(zero);
delay(tau3 - 2.0*pwC/PI - pw);
}
else
{
delay(2.0*tau3);
decphase(one); delay(2.0e-6);
simpulse(2*pw, 2*pwC, zero, one, 0.0, 0.0);
decphase(zero); delay(2.0e-6);
}
decrgpulse(pwC, zero, 0.0, 2.0e-6);
/* ---- HzCz ------------*/
zgradpulse(gzlvl9, gt9);
txphase(t4);
delay(gstab);
/* ---- HzCz ------------*/
rgpulse(pw, t4, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl10, gt10);
delay(tauCH - gt10 - 4.0e-6 );
simpulse(2.0*pw, 2.0*pwC, t4, zero, 2.0e-6, 2.0e-6);
delay(tauCH - gt10 - gstab -4.0e-6 );
zgradpulse(gzlvl10, gt10);
delay(gstab);
rgpulse(pw, t4, 2.0e-6, rof2); /* flip-back pulse */
setreceiver(t5);
decpower(dpwr);
status(D);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
codecseq[MAXSTR],
ddseq[MAXSTR],
shca180[MAXSTR],
shca90[MAXSTR];
int phase, ni,
t1_counter, /* used for states tppi in t1 */
tau2;
double tau1, /* t1 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
taub, /* ~ 1/2JCH for AX spin systems */
taud, /* ~ 1/4JCD 12.5 ms for AX spin system */
TC, /* carbon constant time period 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
time_T2, /* total relaxation time for T2 measurement */
pwcodec, /* pw90 for C' decoupling */
dressed, /* = 2 for seduce-1 decoupling */
dpwrsed,
pwd, /* pulse width for D decoupling at dpwr3_D */
dresD,
dpwr3_D,
lk_wait, /* delay for lk receiver recovery */
pwd1, /* pulse width for D +/- pulses at dpwr3 */
d_ca180,
pwca180,
pwca90, /* ca selective pulse at 57.5 ppm */
d_ca90, /* power level for pwca90 */
dpwr3_sl, /* D power level for spin locking */
pwd_sl, /* pw for D at dpwr3_sl */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab=getval("gstab"),
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("codecseq",codecseq);
getstr("ddseq",ddseq);
getstr("shca180",shca180);
getstr("shca90",shca90);
taua = getval("taua");
taub = getval("taub");
taud = getval("taud");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
pwcodec = getval("pwcodec");
dressed = getval("dressed");
dpwrsed = getval("dpwrsed");
pwd = getval("pwd");
dresD = getval("dresD");
dpwr3_D = getval("dpwr3_D");
lk_wait = getval("lk_wait");
pwd1 = getval("pwd1");
d_ca180 = getval("d_ca180");
pwca180 = getval("pwca180");
pwca90 = getval("pwca90");
d_ca90 = getval("d_ca90");
dpwr3_sl = getval("dpwr3_sl");
pwd_sl = getval("pwd_sl");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
/* LOAD PHASE TABLE */
settable(t1,16,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,4,phi4);
settable(t6,4,phi6);
settable(t7,8,phi7);
settable(t5,16,rec_d);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( TC - 0.50*(ni-1)*1/(sw1) - WFG_STOP_DELAY
- gt6 - 102e-6 - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY
- 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY - PRG_STOP_DELAY
- 2.0e-6 - POWER_DELAY - 2.0e-6
< 0.2e-6 )
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3
|| gt8 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if(dpwr3_D > 54)
{
printf("D decoupling power is too high\n");
psg_abort(1);
}
if(lk_wait > .015 )
{
printf("lk_wait delay may be too long\n");
psg_abort(1);
}
/* change back to 48 */
if(dpwr3_sl > 53) {
printf("dpwr3_sl is too large; must be less than 53\n");
psg_abort(1);
}
/* change back to 250 */
if(pwd_sl < 170.0e-6) {
printf("pwd_sl is too large; Must be larger than 170 us\n");
psg_abort(1);
}
/* Calculation of IzCzDz relaxation delay */
tau2 = (int) (d3+0.1);
time_T2 = z_array[tau2];
if(time_T2 > 0.030) {
printf("time_T2 is too long; Must be less than 30 ms\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t7,1,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t7,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
/* Prepare for signs of gradients 0 1 0 1 0 1 */
mod2(ct,v1);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
txphase(one); decphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
decrgpulse(pwc,t1,2.0e-6,0.0);
decphase(zero);
delay(taub - 2.0*pw - 2.0e-6);
rgpulse(pw,zero,0.0,0.0);
rgpulse(pw,t2,2.0e-6,0.0);
delay(TC - taub
- gt4 - 102e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
initval(1.0,v3);
decstepsize(353.0);
dcplrphase(v3);
decpower(d_ca180);
decshaped_pulse(shca180,pwca180,zero,4.0e-6,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud - WFG_STOP_DELAY - gt4 - 102e-6
- POWER_DELAY - 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
decphase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
delay(taud - PRG_STOP_DELAY -POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- WFG_START_DELAY - pwca90 - 4.0e-6
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decpower(d_ca90);
decshaped_pulse(shca90,pwca90,t3,4.0e-6,0.0);
decpower(dhpwr);
decrgpulse(pwc,one,4.0e-6,0.0);
/* T2 period */
dec3power(dpwr3);
dec3rgpulse(pwd1,t4,2.0e-6,0.0);
dec3phase(one);
dec3power(dpwr3_sl);
dec3rgpulse(time_T2,one,2.0e-6,2.0e-7);
dec3phase(zero);
dec3power(dpwr3);
dec3rgpulse(pwd1,zero,2.0e-6,0.0);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl5,gt5);
delay(gstab);
endif(v1);
decphase(zero);
decrgpulse(pwc,t7,4.0e-6,0.0);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
if(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6 >= tau1) {
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6
- tau1);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud + tau1 - POWER_DELAY
- PRG_START_DELAY - 2.0*pw
- POWER_DELAY - pwd1 - 4.0e-6 - POWER_DELAY - PRG_START_DELAY
- 3.0*POWER_DELAY - 2.0*PRG_START_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY
- POWER_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
else {
delay(taud);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(tau1 - taud - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY - PRG_START_DELAY);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(TC
- 2.0*pw - PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- PRG_STOP_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
initval(1.0,v4);
decstepsize(353.0);
dcplrphase(v4);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - tau1 - WFG_STOP_DELAY - gt6
- 102e-6 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6);
/* C' decoupling off */
decoff();
decprgoff();
decpower(dhpwr);
/* C' decoupling off */
decrgpulse(pwc,one,4.0e-6,0.0);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl7,gt7);
delay(gstab);
endif(v1);
delay(lk_wait); /* delay for lk receiver recovery */
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
decphase(zero);
delay(taua - gt8 - 4.0e-6);
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
delay(taua - 2*POWER_DELAY - gt8 - 4.0e-6);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,rof2);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char f1180[MAXSTR],C13refoc[MAXSTR], C13filter[MAXSTR];
int t1_counter;
double
tau1, /* t1/2 */
JNH = getval("JNH"),
tauNH = 1/(4*JNH), /* delay for 1H-15N INEPT 1/4JNH */
tauNH1 = getval("tauNH1"), /* 1/2JNH */
tauNH2 = getval("tauNH2"), /* 1/2JNH */
tauCH1 = getval("tauCH1"), /* 1/2JCH */
tauCH2 = getval("tauCH2"), /* 1/2JCH tauCH2=2tauNH1-2tauCH1 */
fact = getval("fact"), /* scale factor for spin-echo */
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
rf0, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the stCall pulse */
mix = getval("mix"), /* mixing time for H2O - NH */
dofCHn = getval("dofCHn"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab=getval("gstab"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvld1 = getval("gzlvld1"), /* remove radiation damping in spin-echo filter */
gzlvld2 = getval("gzlvld2"); /* remove radiation damping in mixing time */
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("C13refoc",C13refoc);
getstr("C13filter",C13filter);
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }}
initval(3.0,v2);
initval(1.0,v3);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'n'))
{
printf("incorrect Dec2 decoupler flags! dm2 Should be 'nny' ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, dpwr too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, dpwr2 too large! ");
psg_abort(1);
}
if((gt1 > 5.0e-3) || (gt2 > 5.0e-3) || (gt3 > 5.0e-3))
{
printf("gti must be less than 5 ms \n");
psg_abort(1);
}
if((gt4 > 5.0e-3) || (gt5 > 5.0e-3))
{
printf("gti must be less than 5 ms \n");
psg_abort(1);
}
if(gzlvld1>200 || gzlvld2>200 )
{
printf("gzlvldi should not be larger than 200 DAC \n");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 4, phi3);
settable(t4, 8, phi4);
settable(t5, 2, phi5);
settable(t6, 4, phi6);
settable(t14,8, rec);
/* Phase incrementation for hypercomplex data */
if ( phase1 == 2 ) /* Hypercomplex in t1 */
{
tsadd(t2,1,4);
}
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if(ix == 1)
{
d2_init = d2;
}
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if(t1_counter %2)
{
tsadd(t2,2,4);
tsadd(t14,2,4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1=d2;
if( (f1180[A] == 'y') && (ni >1.0) ) tau1 += (1.0/(2.0*sw1));
tau1 = tau1/2.0 -pw -2*pwN/PI;
if (tau1 < 0.0) tau1=0.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr); /* Set power for pulses */
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
decpower(pwClvl);
decpwrf(rf0);
obsoffset(tof);
decoffset(dofCHn);
delay(d1);
status(B);
rcvroff();
txphase(t1);
delay(9.0e-5);
/* spin-echo filter and 15N/13C double filters */
rgpulse(pw,t1,0.0,0.0);
if(C13filter[A]=='y')
{
decphase(t5);
zgradpulse(gzlvl5,gt5);
delay(tauCH1-gt5);
decrgpulse(pwC,t5,0.0,0.0);
txphase(t3); dec2phase(t5);
delay(tauNH1-tauCH1-pwN*0.5);
sim3pulse(2.0*pw,2*pwC,pwN,t3,zero,t5,0.0,0.0);
decphase(t6);
delay(tauCH2+tauCH1-tauNH1-pwN*0.5);
decrgpulse(pwC,t6,0.0,0.0);
delay(tauNH1+tauNH2-tauCH1-tauCH2-gt5-gstab);
zgradpulse(gzlvl5,gt5);
delay(gstab);
}
else
{
if (gzlvld1>0.0)
{
txphase(t3); dec2phase(t5);
delay(2.0e-6);
zgradpulse(gzlvld1,0.5*fact*tauNH1-pwN*0.25-11.0e-6);
delay(2.0e-5);
zgradpulse(-gzlvld1,0.5*fact*tauNH1-pwN*0.25-11.0e-6);
delay(2.0e-6);
sim3pulse(2.0*pw,0.0e-6,pwN,t3,zero,t5,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvld1,0.5*fact*tauNH2-pwN*0.25-11.0e-6);
delay(2.0e-5);
zgradpulse(-gzlvld1,0.5*fact*tauNH2-pwN*0.25-11.0e-6);
delay(2.0e-6);
}
else
{
txphase(t3); dec2phase(t5);
delay(fact*tauNH1-pwN*0.5);
sim3pulse(2.0*pw,0.0e-6,pwN,t3,zero,t5,0.0,0.0);
delay(2.0e-6);
delay(0.5*fact*tauNH2-pwN*0.25-3.0e-6);
delay(2.0e-6);
delay(0.5*fact*tauNH2-pwN*0.25-3.0e-6);
delay(2.0e-6);
}
}
txphase(zero); dec2phase(t6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t6,0.0,0.0);
decoffset(dof);
decpwrf(rfst);
/* mixing time */
zgradpulse(gzlvl4,gt4);
delay(gstab);
if(mix - 4.0e-6 - 4.0*GRADIENT_DELAY - gt4> 0.0)
{
if (gzlvld2>0.0)
{
zgradpulse(gzlvld2,mix-gt4-gstab);
}
else
delay(mix-gt4-gstab);
}
/* H1-N15 INEPT */
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl1,gt1);
dec2phase(zero); decphase(zero);
delay(tauNH-gt1); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(gzlvl1,gt1);
txphase(one);
dec2phase(t2);
delay(tauNH-gt1 ); /* delay=1/4J(XH) */
rgpulse(pw, one, rof1, rof1);
zgradpulse(gzlvl2,gt2);
delay(gstab);
dec2rgpulse(pwN, t2, 0.0, 0.0);
txphase(zero); dec2phase(t4);
/* t1 evolution period */
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);}
else
{delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(tau1);}
dec2rgpulse(pwN, t4, 0.0, 0.0);
txphase(t1);
zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(pw, t1, rof1, rof1);
dec2phase(zero);
zgradpulse(gzlvl3,gt3);
txphase(v2);
delay(gstab);
delay(tauNH-gt3-gstab-pw*2.385-6.0*rof1 -d3*2.5);
rgpulse(pw*0.231,v2,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v2,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v2,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
delay(d3/2-pwN);
rgpulse(pw*1.462,v3,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v3,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v3,rof1,rof1);
delay(tauNH-gt3-gstab-pw*2.385-6.0*rof1 -d3*2.5);
dec2power(dpwr2);
zgradpulse(gzlvl3,gt3);
delay(gstab);
/* acquire data */
status(C);
setreceiver(t14);
}
pulsesequence()
{
char CT_flg[MAXSTR], /* Constant time flag */
shname1[MAXSTR],
shname2[MAXSTR],
shname3[MAXSTR],
f1180[MAXSTR],
Cdecflg[MAXSTR],
Cdecseq[MAXSTR],
grad_flg[MAXSTR]; /*gradient flag */
int t1_counter,
phase;
double d2_init=0.0,
adjust = getval("adjust"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
shlvl1 = getval("shlvl1"),
shlvl2 = getval("shlvl2"),
shlvl3 = getval("shlvl3"),
shdmf2 = getval("shdmf2"),
shpw1 = getval("shpw1"),
shpw2 = getval("shpw2"),
shpw3 = getval("shpw3"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
dpwr = getval("dpwr"),
CT_delay = getval("CT_delay"),
d2 = getval("d2"),
tau1 = getval("tau1"),
tauch = getval("tauch");
getstr("shname1", shname1);
getstr("shname2", shname2);
getstr("shname3", shname3);
getstr("CT_flg", CT_flg);
getstr("grad_flg",grad_flg);
getstr("f1180",f1180);
getstr("Cdecflg",Cdecflg);
getstr("Cdecseq",Cdecseq);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,2,phi2);
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
if (f1180[0] == 'y') tau1 = tau1-pwC*4.0/3.0;
if(CT_flg[0] == 'y')
{
if ( (ni/sw1) > (CT_delay-pwC*8.0/3.0))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)((CT_delay-pwC*8.0/3.0)*sw1)) ); psg_abort(1); }
}
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t2,2,4); }
status(A);
decpower(pwClvl);
decoffset(dof);
obsoffset(tof);
zgradpulse(gzlvl2, gt2);
lk_sample();
delay(1.0e-4);
delay(d1-gt2);
if (ix < (int)(2.0*ni)) lk_hold(); /*force lock sampling at end of experiment*/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
if (ni == 0)
{
delay(tauch-gt1-1.0e-4-WFG_START_DELAY+pwC*4.0-adjust);
obspower(shlvl2);
shaped_pulse(shname2,shpw2,zero,2.0e-6,2.0e-6);
obspower(shlvl1);
decrgpulse(pwC,t1,0.0,0.0);
decrgpulse(pwC*2.0,zero,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
delay(tauch-gt1-1.0e-4-adjust);
obspower(shlvl2);
status(B);
if(CT_flg[0] == 'y')
{
/*************************************************/
/**** CT EVOLUTION **********/
/*************************************************/
decrgpulse(pwC,t1,0.0,0.0);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decpower(shlvl3);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
shapedpulse(shname2,shpw2,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
decpower(pwClvl);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
/*************************************************/
/**** REAL-TIME EVOLUTION **********/
/*************************************************/
if ((tau1) > shpw2)
{
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
}
delay((tau1-shpw2)*0.5);
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay(shpw2);
obsprgoff();
obsblank();
xmtroff();
delay((tau1-shpw2)*0.5);
if(Cdecflg[0] == 'y')
{
decoff(); decprgoff();
decpower(pwClvl);
}
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
delay(tau1);
decoff(); decprgoff();
decpower(pwClvl);
}
else
delay(tau1);
decrgpulse(pwC,zero,0.0,0.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
obsprgoff();
obsblank();
xmtroff();
}
}
obspower(shlvl1);
status(A);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay(tauch-gt1-1.0e-4-POWER_DELAY);
decpower(dpwr);
status(C);
setreceiver(t2);
}
}
void pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
n15_flg[MAXSTR];
int icosel,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,
kappa,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
scale = getval("scale"),
sw1 = getval("sw1"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
t2a,t2b,halfT2,
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
timeTN = getval("timeTN"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("n15_flg",n15_flg);
phase = (int) (getval("phase") + 0.5);
settable(t1,4,phi1);
settable(t2,4,phi2);
settable(t3,1,phi3);
settable(t5,1,phi5);
settable(t14,4,phi14);
settable(t15,4,phi15);
settable(t24,4,phi24);
settable(t25,4,phi25);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
//shpw1 = pw*8.0;
shlvl1 = tpwr;
f1180[0] ='n';
f2180[0] ='n';
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS3 = c13pulsepw("ca", "co", "square", 180.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if(ix==1) printf("pwS2 %g pwS3 %g GRADIENT_DELAY %g POWER_DELAY %g PWRF_DELAY %g\n",
pwS2,pwS3,2*GRADIENT_DELAY,4*POWER_DELAY,4*PWRF_DELAY);
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
if ( phase2 == 2 )
{
tsadd ( t3,2,4 );
tsadd ( t5,2,4 );
icosel = +1;
}
else icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
/************************************************************/
/* modification for phase-cycling in consecutive experiments*/
/* for kinetic measurements */
/************************************************************/
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t14,2,4); tsadd(t15,2,4);tsadd(t24,2,4); tsadd(t25,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t2,2,4); tsadd(t14,2,4); tsadd(t15,2,4);tsadd(t24,2,4); tsadd(t25,2,4); }
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
if (ni2 > 1)
{
halfT2 = 0.5*(ni2-1)/sw2;
t2b = (double) t2_counter*((halfT2 - timeTN)/((double)(ni2-1)));
if( ix==1 && halfT2 - timeTN > 0 ) printf("SCT mode on, max ni2=%g\n",timeTN*sw2*2+1);
if(t2b < 0.0) t2b = 0.0;
t2a = timeTN - tau2*0.5 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
}
else
{
t2b = 0.0;
t2a = timeTN - tau2*0.5;
}
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(1.5*gzlvl4, gt4);
delay(1.0e-4);
lk_sample();
delay(d1-gt4);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.5);
if(n15_flg[0]=='y') h_shapedpulse("pc9f_",shbw,shofs,three, 0.0, 0.0);
else h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
obspower(shlvl1);
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(timeTN-pwS2*0.5-gt4);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl4, gt4);
delay(timeTN-pwS2*0.5-gt4);
dec2rgpulse(pwN,one,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CO EVOLUTION xxxxxxxxxxxxxxxxxx */
obspower(tpwr);
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(tau1*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
one, zero, zero, 2.0e-6, 0.0);
if (pwN*2.0 > pwS3) delay(pwN*2.0-pwS3);
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/**************************************************************************/
dec2rgpulse(pwN,t2,0.0,0.0);
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
// delay(timeTN-pwS3-pwS2-gt1-1.0e-4);
delay(timeTN-pwS3-pwS2-gt1-1.0e-4-2.0*GRADIENT_DELAY-4*POWER_DELAY-4*PWRF_DELAY-(4/PI)*pwN);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay (t2b);
dec2rgpulse (2.0*pwN, zero, 0.0, 0.0);
delay (t2a);
/**************************************************************************/
delay(gt1/10.0+1.0e-4);
h_shapedpulse("eburp2_",shbw,shofs,t3, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay(gt1/10.0+1.0e-4);
dec2rgpulse(pwN,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(lambda-pwS6*0.5-gt6);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt6);
delay(lambda-pwS6*0.5-gt6);
dec2rgpulse(pwN,t5,0.0,0.0);
/**************************************************************************/
zgradpulse(-icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (n15_flg[0] =='y')
{
if (phase2==1) setreceiver(t14);
else setreceiver(t15);
}
else
{
if (phase2==1) setreceiver(t24);
else setreceiver(t25);
}
rcvron();
statusdelay(C,1.0e-4 );
}
void pulsesequence()
{
char satflg[MAXSTR], stCshape[MAXSTR]; /* sech/tanh pulses from shapelib */
int icosel, t1_counter;
double
tau1, tau2, tau3, swTilt,
cos_hm1, cos_cm1, cos_cm2,
sw1 = getval("sw1"),
sw_hm1 = getval("sw_hm1"),
sw_cm1 = getval("sw_cm1"),
sw_cm2 = getval("sw_cm2"),
angle_hm1 = getval("angle_hm1"),
angle_cm1 = getval("angle_cm1"),
angle_cm2,
pwHs = getval("pwHs"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
rf0, /* maximum fine power when using pwC pulses */
rfst = 0.0, /* fine power for the stCshape pulse, initialised */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
lambda = getval("lambda"), /* J delay optimized for CH3 */
tauCH = 1/(4.0*getval("jch")), /* 1/4J J delay */
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");
getstr("satflg",satflg);
pwN=pwN*1.0; cos_cm2=0.0; angle_cm2=0.0;
/* LOAD PHASE TABLE */
settable(t1,1,phi1); settable(t3,2,phi3); settable(t9,8,phi9);
settable(t10,1,phi10); settable(t11,4,rec);
/* INITIALIZE VARIABLES */
/* 30 ppm sech pulse */
rf0 = 4095.0;
rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41));
rfst = (int) (rfst + 0.5);
strcpy(stCshape, "stC30");
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' "); psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{ text_error("incorrect dec decoupler flags! Should be 'nny' "); psg_abort(1); }
if( (dpwr > 52) && (dm[C]=='y'))
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
/* Phases and delays related to PR-NMR */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_hm1 < 0 || angle_cm1 < 0 || angle_hm1 > 90 || angle_cm1 > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_hm1 = cos (PI*angle_hm1/180); cos_cm1 = cos (PI*angle_cm1/180);
if ( (cos_hm1*cos_hm1 + cos_cm1*cos_cm1) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_cm2 = sqrt(1 - (cos_hm1*cos_hm1 + cos_cm1*cos_cm1) ); angle_cm2 = acos(cos_cm2)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
swTilt = sw_hm1*cos_hm1 + sw_cm1*cos_cm1 + sw_cm2*cos_cm2;
if (phase1 == 1) {; } /* C+/- */
else if (phase1 == 2) { tsadd (t1, 1, 4); } /* S+/- */
icosel=1;
if ( (phase2 == 1) || (phase2 == 3) ) { tsadd(t10,2,4); icosel = 1; }
else { icosel = -1; }
if (t1_counter % 2) { tsadd(t1,2,4); tsadd(t11,2,4); } /* PZ TPPI */
tau1 = 1.0*t1_counter*cos_hm1/swTilt;
tau2 = 1.0*t1_counter*cos_cm1/swTilt;
tau3 = 1.0*t1_counter*cos_cm2/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_hm1: %5.2f \n", angle_hm1);
printf ("Angle_cm1: %5.2f \n", angle_cm1);
printf ("Angle_cm2: %5.2f \n", angle_cm2);
printf ("\n\n\n\n\n");
}
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
txphase(zero); obspower(tpwr);
decphase(zero); decpower(pwClvl); decpwrf(rf0);
dec2phase(zero); dec2power(pwNlvl);
decoffset(dof);
obsoffset(satfrq);
if (satflg[A] == 'y')
{
obspower(satpwr);
rgpulse(satdly, zero, 0.0, 0.0);
obspower(tpwr);
}
if (satflg[A] == 'y')
{
shiftedpulse("sinc", pwHs, 90.0, 0.0, zero, 2.0e-6, 2.0e-6);
}
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6); /*destroy C13 magnetization*/
zgradpulse(gzlvl0, gt0);
delay(gstab);
if (satflg[A] == 'y')
{
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 2.0e-6);
}
decrgpulse(pwC, one, 2.0e-6, 2.0e-6);
zgradpulse(0.7*gzlvl0, gt0);
txphase(t1);
obsoffset(tof);
delay(gstab);
status(B);
rgpulse(pw, t1, 2.0e-6,2.0e-6); /* 1H pulse excitation */
if (tau1 > pwC)
{
delay(tau1 - pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(tau1 - pwC);
}
else
{
delay(2.0*tau1);
}
zgradpulse(gzlvl3, gt3);
delay(tauCH - gt3 - 4.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(tauCH - gt3 - gstab -4.0e-6);
zgradpulse(gzlvl3, gt3);
txphase(one);
delay(gstab);
rgpulse(pw, one, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl4, gt4);
obsoffset(satfrq);
decphase(t3);
delay(gstab);
decrgpulse(pwC, t3, 4.0e-6, 2.0e-6);
/*================== Carbon evolution ===============*/
txphase(zero); decphase(zero);
if ((phase2 ==1) || (phase2 ==2)) { delay(tau2 + tau3); }
else { delay(tau3); }
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
if ((phase2 == 1) || (phase2 ==2)) { delay(tau2 + tau3); }
else { delay(tau3); }
zgradpulse(-1.0*gzlvl1, gt1/2);
decphase(t9);
delay(gstab - 2.0*GRADIENT_DELAY);
decrgpulse(2.0*pwC, t9, 2.0e-6, 2.0e-6);
if ((phase2 == 3) || (phase2 ==4)) { delay(tau2); }
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
if ((phase2 == 3) || (phase2 ==4)) { delay(tau2); }
zgradpulse(gzlvl1, gt1/2);
decphase(t10);
delay(gstab -2.0*GRADIENT_DELAY );
/*================== End of Carbon evolution ===============*/
simpulse(pw, pwC, zero, t10, 2.0e-6, 2.0e-6);
decphase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.5*pwC - gt5 - 4.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(lambda - 1.5*pwC - gt5 - gstab -4.0e-6);
zgradpulse(gzlvl5, gt5);
txphase(one); decphase(one);
delay(gstab);
simpulse(pw, pwC, one, one, 2.0e-6, 2.0e-6);
txphase(zero);
decphase(zero);
zgradpulse(gzlvl6, gt6);
delay(tauCH - 1.5*pwC - gt6 -4.0e-6);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 2.0e-6, 2.0e-6);
delay(tauCH - pwC - 0.5*pw - gt6 -gstab -4.0e-6);
zgradpulse(gzlvl6, gt6);
delay(gstab);
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
delay((gt1/4.0) + gstab -2.0e-6 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
decpower(dpwr); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/4.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
gt0,
gt1,
gt2,
gt3,
gt4,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
decstep1,
bw, ofs, ppm,
pwd1,
dpwr3_D,
pwd,
tpwrs,
pwHs,
dof_me,
tof_dtt,
tpwrs1,
pwHs1,
dpwrsed,
pwsed,
dressed,
rfrb_cg,
pwrb_cg;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
tofps = getval("tofps");
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
BigTC1 = getval("BigTC1");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
decstep1 = getval("decstep1");
pwd1 = getval("pwd1");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
pwHs1 = pwHs;
tpwrs=-16.0; tpwrs1=tpwrs;
tof_dtt = getval("tof_dtt");
dpwrsed = -16;
pwsed = 1000.0;
dressed = 90.0;
pwrb_cg = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 136.0*ppm;
cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl);
if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! ");
if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! ");
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs); tpwrs1=tpwrs;
dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres;
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,8,phi7);
settable(t8,1,phi8);
settable(t9,2,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(dpwr3_D > 49)
{
printf("dpwr3_D is too high; < 50\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if(dpwrsed > 48)
{
printf("dpwrsed must be less than 49\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
if(ix==1) {
printf("make sure that BigTC1 is set properly for your application\n");
printf("7 ms, neglecting relaxation \n");
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t1,1,4);
tsadd(t2,1,4);
tsadd(t3,1,4);
tsadd(t4,1,4);
}
if (phase2 == 2)
tsadd(t8,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 2.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to low power */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
decoffset(dof_me);
lk_hold();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs1);
shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab);
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
if(C_flg[A] == 'n') {
decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6);
decprgon(cosed.name,pwsed,dressed);
decon();
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1);
decoff();
decprgoff();
decblank();
decpower(pwClvl);
}
else
simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6);
decrgpulse(pwC,t5,2.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t6);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t6,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t7);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2H decoupling off */
decrgpulse(pwC,t7,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t8);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t8,4.0e-6,0.0);
decoffset(dof_me);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 -gstab
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - POWER_DELAY - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char pw11[MAXSTR], /* off resonance 1-1 type proton excitation pulse */
URA[MAXSTR], /* Setup for U-imino - U-H6 */
CYT[MAXSTR], /* Setup for C-imino - C-H6 */
CP[MAXSTR], /* CP H->N transfer */
INEPT[MAXSTR], /* INEPT H->N transfer */
C13refoc[MAXSTR], /* C13 pulse in middle of t1*/
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
int t1_counter;
double tau1, /* t1 delay */
lambda = 0.94/(4.0*getval("JCH")), /* 1/4J C-H INEPT delay */
lambdaN = 0.94/(4.0*getval("JNH")), /* 1/4J N-H INEPT delay */
tCC = 1.0/(4.0*getval("JCC")), /* 1/4J C-C INEPT delay */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
rfN, /* maximum fine power when using pwN pulses */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
tpwr = getval("tpwr"), /* power for H1 pulses */
pw = getval("pw"), /* H1 90 degree pulse length at tpwr */
rfH, /* maximum fine power when using pw pulses */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
tof_75, /* tof shifted to 7.5 ppm for H4-N4 transfer */
tof_12, /* tof shifted to 12 ppm for H3-N3 transfer */
dof_169, /* dof shifted to 169 ppm for N3-C4 transfer */
dof_140, /* dof shifted to 140 ppm for C4-C5-C6 transfer and DEC1 */
dof2_97, /* dof2 shifted to 97 ppm for H4-N4 and N4-C4 transfer */
dof2_160, /* dof2 shifted to 160 ppm for H3-N3 and N3-C4 transfer */
/* p_d is used to calculate the isotropic mixing */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC-rfdN-rfdH */
rfdC, /* fine C13 power for 1.9 kHz rf for 500MHz magnet */
rfdN, /* fine N15 power for 1.9 kHz rf for 500MHz magnet */
rfdH, /* fine H1 power for 1.9 kHz rf for 500MHz magnet */
ncyc_hn = getval("ncyc_hn"), /* number of pulsed cycles in HN half-DIPSI-3 */
ncyc_nc = getval("ncyc_nc"), /* number of pulsed cycles in NC DIPSI-3 */
sw1 = getval("sw1"),
grecov = getval("grecov"),
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("rna_H2Osinc") pulse */
pwHs2 = getval("pwHs2"), /* H1 90 degree pulse length at tpwrs2 */
tpwrs2, /* power for the pwHs2 square pulse */
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gt3 = getval("gt3"),
gzlvl4 = getval("gzlvl4"),
gt4 = getval("gt4"),
gzlvl5 = getval("gzlvl5"),
gt5 = getval("gt5"),
gzlvlr = getval("gzlvlr");
getstr("pw11",pw11);
getstr("URA",URA);
getstr("CYT",CYT);
getstr("CP",CP);
getstr("INEPT",INEPT);
getstr("C13refoc",C13refoc);
getstr("f1180",f1180);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,8,phi3);
settable(t4,4,phi4);
settable(t5,16,phi5);
if ( CP[A] == 'y' )
settable(t10,8,rec1);
if ( INEPT[A] == 'y' )
settable(t10,16,rec2);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* maximum fine power for pwN pulses */
rfN = 4095.0;
/* maximum fine power for pw pulses */
rfH = 4095.0;
/* different offset values tof=H2O, dof=110ppm, dof2=200ppm */
tof_75 = tof + 2.5*sfrq; /* tof shifted to nH2 */
tof_12 = tof + 7.0*sfrq; /* tof shifted to nH */
dof_169 = dof + 59*dfrq; /* dof shifted to C4 */
dof_140 = dof + 30*dfrq; /* dof shifted to C6 */
dof2_160 = dof2 - 40*dfrq2; /* dof2 shifted to Nh */
dof2_97 = dof2 - 103*dfrq2; /* dof2 shifted to Nh2 */
/* 1.9 kHz DIPSI-3 at 500MHz*/
p_d = (5.0)/(9.0*4.0*1900.0*(sfrq/500.0)); /* 1.9 kHz DIPSI-3 at 500MHz*/
/* fine C13 power for dipsi-3 isotropic mixing on C4 region */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
/* fine N15 power for dipsi-3 isotropic mixing on Nh region */
rfdN = (compN*4095.0*pwN*5.0)/(p_d*9.0);
rfdN = (int) (rfdN + 0.5);
/* fine H1 power for half dipsi-3 isotropic mixing on nH2 region */
rfdH = (compH*4095.0*pw*5.0)/(p_d*9.0);
rfdH = (int) (rfdH + 0.5);
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* selective H20 square pulse */
tpwrs2 = tpwr - 20.0*log10(pwHs2/(compH*pw));
tpwrs2 = (int) (tpwrs2);
/* number of cycles and mixing time */
ncyc_nc = (int) (ncyc_nc + 0.5);
ncyc_hn = (int) (ncyc_hn + 0.5);
if (ncyc_nc > 0 )
{
printf("NC-mixing time is %f ms.\n",(ncyc_nc*51.8*4*p_d));
}
if (CP[A] == 'y')
{
if (ncyc_hn > 0 )
printf("HN-mixing time is %f ms.\n",(ncyc_hn*51.8*2*p_d));
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t10,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* CHECK VALIDITY OF PARAMETER RANGE */
if( sfrq > 610 )
{ printf("Power Levels at 750/800 MHz may be too high for probe");
psg_abort(1); }
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
if( dpwrf2 < 4095 )
{ printf("reset dpwrf2=4095 and recalibrate N15 90 degree pulse");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' ");
psg_abort(1);
}
if( ((dm[C] == 'y') && (dm2[C] == 'y') && (at > 0.18)) )
{
text_error("check at time! Don't fry probe !! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 40.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
text_error(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
if( (CP[A] == 'y') && (INEPT[A] == 'y') )
{
text_error("Choose either CP or INEPT for H->N transfer !! ");
psg_abort(1);
}
if( ncyc_hn > 2 )
{
text_error("check H->N half-dipsi-3 time !! ");
psg_abort(1);
}
if( ncyc_nc > 7 )
{
text_error("check N->C dipsi-3 time !! ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CYT[A] == 'y') )
{
text_error("Choose either URA or CYT !! ");
psg_abort(1);
}
if( (URA[A] == 'n') && (CYT[A] == 'n') )
{
text_error("Do you really want to run this experiment ?? ");
psg_abort(1);
}
if( (URA[A] == 'y') && (CP[A] == 'y') )
{
printf("Remember that CP covers just 3.8 ppm !!! ");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
rcvroff();
obspower(tpwr);
obspwrf(rfH);
obsstepsize(0.5);
decpower(pwClvl);
decpwrf(rfC);
decstepsize(0.5);
dec2power(pwNlvl);
dec2pwrf(rfN);
dec2stepsize(0.5);
if (URA[A] == 'y')
{
obsoffset(tof_12); /* Set the proton frequency to U-nH */
dec2offset(dof2_160); /* Set the nitrogen frequency to U-Nh */
}
else if (CYT[A] == 'y')
{
obsoffset(tof_75); /* Set the proton frequency to C-nH2 */
dec2offset(dof2_97); /* Set the nitrogen frequency to C-Nh2 */
}
else
{
}
decoffset(dof_169); /* Preset the carbon frequency for the NC-tocsy */
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if (CP[A] == 'y')
initval(ncyc_hn,v12);
initval(ncyc_nc,v11);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(5.0e-4);
rcvroff();
if(pw11[A] == 'y')
{
rgpulse(pw/2, t1, 50.0e-6, 0.0);
if (URA[A] == 'y')
delay(1/(2*(tof_12-tof)));
else if (CYT[A] == 'y')
delay(1/(2*(tof_75-tof)));
else
delay(1/(2*(tof_75-tof)));
rgpulse(pw/2, t1, 0.0, 0.0);
}
else
{
rgpulse(pw, t1, 50.0e-6, 0.0);
}
txphase(zero);
if (C13refoc[A]=='y')
{
if (tau1 > (0.001-(2.0*GRADIENT_DELAY + pwN + 0.64*pw )))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) );
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else
{
if (tau1 > (0.001-(pwN + 0.64*pw )))
{
delay(tau1 - pwN - 0.64*pw );
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else
{
if (tau1 > (0.64*pw ))
delay(2.0*tau1 - 2.0*0.64*pw );
}
}
}
else
{
if (tau1 > (0.001-(2.0*GRADIENT_DELAY + pwN + 0.64*pw )))
{
zgradpulse(gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvlr, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
else
{
if (tau1 > (0.001-(pwN + 0.64*pw )))
{
delay(tau1 - pwN - 0.64*pw );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(tau1 - pwN - 0.64*pw);
}
else
{
if (tau1 > (0.64*pw ))
delay(2.0*tau1 - 2.0*0.64*pw );
}
}
}
if (INEPT[A] == 'y')
{
delay(lambdaN);
sim3pulse(2*pw, 0.0, 2*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t5);
delay(lambdaN - SAPS_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - SAPS_DELAY - gt5);
sim3pulse(2*pw, 0.0, 2*pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5,gt5);
delay(lambdaN - 2*SAPS_DELAY - gt5 - 2*POWER_DELAY);
decpwrf(rfdC); /* Set fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
}
else if (CP[A] == 'y')
{
obspwrf(rfdH); /* Set fine power for proton */
decpwrf(rfdC); /* Preset fine power for carbon */
dec2pwrf(rfdN); /* Set fine power for nitrogen */
delay(2.0e-6);
starthardloop(v12);
sim3pulse(6.4*p_d,0.0,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(8.2*p_d,0.0,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(5.8*p_d,0.0,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.7*p_d,0.0,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.6*p_d,0.0,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(4.9*p_d,0.0,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(7.5*p_d,0.0,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.3*p_d,0.0,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(7.4*p_d,0.0,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(6.4*p_d,0.0,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(8.2*p_d,0.0,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(5.8*p_d,0.0,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(5.7*p_d,0.0,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.6*p_d,0.0,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(4.9*p_d,0.0,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(7.5*p_d,0.0,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(5.3*p_d,0.0,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(7.4*p_d,0.0,7.4*p_d,two,two,two,0.0,0.0);
endhardloop();
}
else
{
}
dec2phase(zero);
decphase(zero);
starthardloop(v11);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,6.4*p_d,6.4*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,8.2*p_d,8.2*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,5.8*p_d,5.8*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.7*p_d,5.7*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,0.6*p_d,0.6*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,4.9*p_d,4.9*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.5*p_d,7.5*p_d,zero,zero,zero,0.0,0.0);
sim3pulse(0.0,5.3*p_d,5.3*p_d,two,two,two,0.0,0.0);
sim3pulse(0.0,7.4*p_d,7.4*p_d,zero,zero,zero,0.0,0.0);
endhardloop();
obspwrf(rfH);
decpwrf(rfC);
dec2pwrf(rfN);
obsoffset(tof);
decoffset(dof_140);
txphase(zero);
decphase(one);
decrgpulse(pwC,one,0.0,0.0); /* flip transferred 13C-magn. to z */
decphase(t3);
decrgpulse(pwC,t3,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(tCC - SAPS_DELAY - gt5);
decrgpulse(2*pwC,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCC - gt5);
decrgpulse(pwC,zero,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
zgradpulse(gzlvl5,gt5);
delay(tCC - SAPS_DELAY - gt5);
decrgpulse(2*pwC,zero,0.0,0.0);
zgradpulse(gzlvl5,gt5);
delay(tCC - gt5);
decrgpulse(pwC,zero,0.0,0.0); /* flip transferred 13C-magnetization to x */
decphase(zero);
delay(tCC - SAPS_DELAY);
decrgpulse(2*pwC,zero,0.0,0.0);
delay(tCC - lambda - pw);
rgpulse(2*pw,zero,0.0,0.0); /* Invert water signal */
delay(lambda - pw);
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl3,gt3);
delay(grecov);
txphase(zero);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwr);
rgpulse(pw, zero, 2*rof1, 0.0);
txphase(two);
obspower(tpwrs2);
zgradpulse(gzlvl4,gt4);
delay(grecov - 2*SAPS_DELAY - 2*POWER_DELAY - GRADIENT_DELAY);
rgpulse((lambda-grecov-gt4-pwC), two, 0.0, 0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
simpulse(2*pwC,2*pwC,two,zero,0.0,0.0);
simpulse(pwC,pwC,two,three,0.0,0.0);
rgpulse((pwHs2-2*pwC-(lambda-grecov-gt4-pwC)), two, 0.0, 0.0);
txphase(zero);
obspower(tpwr);
rgpulse(2*pw, zero, 0.0, 0.0);
txphase(two);
obspower(tpwrs2);
rgpulse(pwHs2, two, 0.0, 0.0);
decphase(t4);
zgradpulse(gzlvl4,gt4);
delay(grecov-2*pwC-2*SAPS_DELAY - POWER_DELAY - GRADIENT_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
dec2power(dpwr2); /* 2*POWER_DELAY */
decpower(dpwr);
status(C);
rcvron();
setreceiver(t10);
}
void pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
CT_flg[MAXSTR],
n15_flg[MAXSTR];
int icosel,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,max,
kappa,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
scale = getval("scale"),
sw1 = getval("sw1"),
timeTN = getval("timeTN"),
timeTN1,
Delta,
t2a,t2b,halfT2,ctdelay,
tauNCO = getval("tauNCO"),
CTdelay = getval("CTdelay"),
tauC = getval("tauC"),
tau1, tau2,
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("CT_flg",CT_flg);
getstr("n15_flg",n15_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,1,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t14,4,phi14);
settable(t24,4,phi24);
/* INITIALIZE VARIABLES */
timeTN1= timeTN-tauC;
Delta = timeTN-tauC-tauNCO;
//shpw1 = pw*8.0;
shlvl1=tpwr;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if (CT_flg[0] == 'y')
{
if ( ni*1/(sw1)/2.0 > (CTdelay*0.5-gt3-1.0e-4))
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((CTdelay*0.5-gt3-1.0e-4)*2.0*sw1))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) {tsadd(t1,1,4);}
if ( phase2 == 2 )
{
tsadd ( t3,2,4 );
tsadd ( t5,2,4 );
icosel = +1;
}
else icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
/************************************************************/
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t4,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
/************************************************************/
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
/************************************************************/
ctdelay = timeTN1-gt1-1.0e-4;
// ctdelay = timeTN1-gt1-1.0e-4-2.0*GRADIENT_DELAY-4*POWER_DELAY-4*PWRF_DELAY-(4/PI)*pwN;
if (ni2 > 1)
{
halfT2 = 0.5*(ni2-1)/sw2;
t2b = (double) t2_counter*((halfT2 - ctdelay)/((double)(ni2-1)));
if( ix==1 && halfT2 - timeTN > 0 ) printf("SCT mode on, max ni2=%g\n",timeTN*sw2*2+1);
if(t2b < 0.0) t2b = 0.0;
t2a = ctdelay - tau2*0.5 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
}
else
{
t2b = 0.0;
t2a = ctdelay - tau2*0.5;
}
/************************************************************/
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(1.0e-4);
delay(d1-gt4);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
if(n15_flg[0]=='y') h_shapedpulse("pc9f_",shbw,shofs,three, 0.0, 0.0);
else h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
zgradpulse(gzlvl4, gt4*4.0);
delay(1.0e-4);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN1);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-Delta-pwS3+pwN*4.0/3.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
dec2rgpulse(pwN,one,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
if(CT_flg[0]=='y')
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(CTdelay*0.5-gt3-1.0e-4);
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(CTdelay*0.5-gt3-1.0e-4-tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
else
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
set_c13offset("co");
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA back transfer xxxxxxxxxxxxxxx */
/**************************************************************************/
obspower(shlvl1);
dec2rgpulse(pwN,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
// delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3);
delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3-2.0*GRADIENT_DELAY+4*POWER_DELAY+4*PWRF_DELAY);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(Delta);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay (t2b);
dec2rgpulse (2.0*pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay (t2a);
/**************************************************************************/
/** gradient-selected TROSY sequence *********/
/**************************************************************************/
delay(gt1/10.0+1.0e-4);
h_shapedpulse("eburp2_",shbw,shofs,t3, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay(gt1/10.0+1.0e-4);
dec2rgpulse(pwN,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(lambda-pwS6*0.5-gt6);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt6);
delay(lambda-pwS6*0.5-gt6);
dec2rgpulse(pwN,t5,0.0,0.0);
/**************************************************************************/
zgradpulse(-icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
lk_sample();
if (n15_flg[0] =='y')
{
setreceiver(t14);
}
else
{
setreceiver(t24);
}
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
/* DECLARE VARIABLES */
char scuba[MAXSTR],
mess_flg[MAXSTR],
imino[MAXSTR],
amino[MAXSTR],
jumpret[MAXSTR],
C13refoc[MAXSTR];
int phase,
t1_counter;
double hscuba, /* length of 1/2 SCUBA delay */
taunh, /* 1/4J(NH) */
tofps, /* water frequency */
tpwrmess, /* power level for Messerlie purge */
dly_pg, /* Messerlie purge delay */
pwClvl, /* power level for 13C hard pulse */
pwNlvl, /* power level for 15N hard pulse */
pwC, /* pulse width for 13C hard pulse */
pwN, /* pulse width for 15N hard pulse */
JNH, /* coupling for NH */
diff, /* freq diff H2O & exit center */
dof2a, /* offset for imino/amino */
tau1, /* t1/2 */
grecov, /* gradient recovery time */
gzlvl0, /* level of grad. for purge */
gzlvl1, /* level of grad. for 1/2J */
gt1, /* grad. duration for 1/2J */
gzlvlr; /* level of RDt1-gradient (0.5G) */
/* LOAD VARIABLES */
JNH = getval("JNH");
diff = getval("diff");
pwC = getval("pwC");
pwN = getval("pwN");
tofps = getval("tofps");
tpwrmess= getval("tpwrmess");
dly_pg = getval("dly_pg");
pwClvl = getval("pwClvl");
pwNlvl = getval("pwNlvl");
hscuba = getval("hscuba");
phase = (int)(getval("phase") + 0.5);
sw1 = getval("sw1");
at = getval("at");
grecov = getval("grecov");
gt1 = getval("gt1");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvlr = getval("gzlvlr");
getstr("scuba",scuba);
getstr("mess_flg",mess_flg);
getstr("imino",imino);
getstr("amino",amino);
getstr("jumpret",jumpret);
getstr("C13refoc",C13refoc);
/* CHECK VALIDITY OF PARAMETER RANGE */
if (dm[A] == 'y' || dm[B] == 'y')
{
printf(" dm must be 'nny' or 'nnn' ");
psg_abort(1);
}
if ((dm[C] == 'y' || dm2[C] == 'y') && at > 0.21)
{
printf(" check at time! Don't fry probe \n");
psg_abort(1);
}
if (dm2[A] == 'y' || dm2[B] == 'y')
{
printf(" dm2 must be 'nny' or 'nnn' ");
psg_abort(1);
}
if ( ((imino[A]=='y') && (amino[A]=='y')) )
{
printf(" Choose ONE of imino='y' OR amino='y' ");
psg_abort(1);
}
if ((satmode[A] == 'y') && (jumpret[A] == 'y'))
{
printf(" Choose EITHER presat (satmode='y') OR Jump-Return (jumpret='y') \n");
psg_abort(1);
}
if (satpwr > 12)
{
printf(" satpwr must be less than 13 \n");
psg_abort(1);
}
if (tpwrmess > 55)
{
printf(" tpwrmess must be less than 55 \n");
psg_abort(1);
}
if (dly_pg > 0.010)
{
printf(" dly_pg must be less than 10msec \n");
psg_abort(1);
}
if (dpwr > 50)
{
printf(" dpwr must be less than 49 \n");
psg_abort(1);
}
if (dpwr2 > 50)
{
printf(" dpwr2 must be less than 46 \n");
psg_abort(1);
}
if (gt1 > 5.0e-3)
{
printf(" gti must be less than 5msec \n");
psg_abort(1);
}
if (gzlvl0 > 32768 || gzlvl1 > 32768 || gzlvl0 < -32768 || gzlvl1 < -32768)
{
printf(" gzlvli must be -32768 to 32768 (30G/cm) \n");
psg_abort(1);
}
if (gzlvlr > 500 || gzlvlr < -500)
{
printf(" RDt1-gzlvlr must be -500 to 500 (0.5G/cm) \n");
psg_abort(1);
}
/* LOAD PHASE PARAMETERS */
settable(t1, 8, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 8, rec);
/* INITIALIZE VARIABLES */
taunh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.78e-3);
dof2a = dof2;
/* IMINO-region setting of dof2 */
if (imino[A] == 'y')
dof2a = dof2 - 45*dfrq2;
/* AMINO-region setting of dof2 */
else if (amino[A] == 'y')
dof2a = dof2 - 115*dfrq2;
/* Phase incrementation for hyper complex data in t1 */
if (phase == 2)
tsadd(t2, 1, 4);
/* Calculate modification to phase based on current t1 values: 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(t5, 2, 4);
}
/* Set up so that you get (90, -180) phase correction in F1 */
tau1 = d2;
tau1 = tau1 -(4.0/PI)*pwN;
tau1 = tau1 / 2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set DEC1 power to pwClvl */
dec2power(pwNlvl); /* Set DEC2 power to pwNlvl */
obsoffset(tof);
decoffset(dof);
dec2offset(dof2a);
if (mess_flg[A] == 'y') /* Option for Messerlie purge */
{
obsoffset(tofps);
obspower(tpwrmess);
txphase(zero);
xmtron();
delay(dly_pg);
xmtroff();
txphase(one);
xmtron();
delay(dly_pg/1.62);
xmtroff();
obsoffset(tof);
obspower(satpwr);
}
if (satmode[A] == 'y') /* Presaturation Period */
{
txphase(zero);
xmtron(); /* presaturation using transmitter */
delay(d1);
xmtroff();
obspower(tpwr); /* set power for hard pulse */
if (scuba[A] == 'y') /* SCUBA pulse */
{
hsdelay(hscuba);
rgpulse(pw, zero, rof1, 0.0);
rgpulse(2*pw, one, rof1, 0.0);
rgpulse(pw, zero, rof1, 0.0);
delay(hscuba);
}
}
else
{
obspower(tpwr);
delay(d1);
}
dec2rgpulse(pwN,zero, 0.0, 0.0); /* destroy N15 magnetization */
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
decphase(t2);
delay(grecov);
status(B);
if (jumpret[A] == 'y')
{
rgpulse(pw, zero, rof1, rof1); /* jump-return pulse */
delay(0.25 / diff - 2.0*rof1);
rgpulse(pw, two, rof1, rof1);
}
else
rgpulse(pw, zero, rof1, rof1);
zgradpulse(gzlvl1,gt1);
delay(taunh - gt1 - 2.0*GRADIENT_DELAY ); /* delay = 1.0/2J(NH) */
delay(taunh);
dec2rgpulse(pwN, t2, 0.0, 0.0);
dec2phase(t4);
if (jumpret[A] == 'y')
{
tau1 = tau1-(pw+rof1+0.25/diff) ;
if (tau1 < 0.0) tau1 = 0.0;
if (tau1 > 0.001)
{
zgradpulse(gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY)); /* delay = t1/2 */
delay(0.1*tau1);
zgradpulse(-gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY));
delay(0.1*tau1);
}
else
delay(tau1); /* delay = t1/2 */
rgpulse(pw, t1, rof1, rof1);
if (C13refoc[A] == 'y')
{
delay((0.25 / diff) - pwC -rof1 );
decrgpulse(2*pwC, zero, 0.0, 0.0);
delay((0.25 / diff) - pwC -rof1) ;
}
else
{
delay(0.25 / diff);
delay(0.25 / diff);
}
rgpulse(pw, t3, rof1, rof1);
txphase(zero);
if (tau1 > 0.001)
{
zgradpulse(gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY)); /* delay = t1/2 */
delay(0.1*tau1);
zgradpulse(-gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY));
delay(0.1*tau1);
}
else
delay(tau1); /* delay = t1/2 */
}
else
{
if (C13refoc[A] == 'y')
tau1 = tau1-(pwC+rof1) ;
else
tau1 = tau1-(pw+rof1) ;
if (tau1 < 0.0) tau1 = 0.0;
if (tau1 > 0.001)
{
zgradpulse(gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY)); /* delay = t1/2 */
delay(0.1*tau1);
zgradpulse(-gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY));
delay(0.1*tau1);
}
else
delay(tau1); /* delay = t1/2 */
if (C13refoc[A] == 'y')
simpulse(2*pw, 2*pwC, t1, zero, rof1, rof1);
else
rgpulse(2*pw, t1, rof1, rof1);
txphase(zero);
if (tau1 > (4.0*GRADIENT_DELAY + 0.64*pw + rof1))
{
if (tau1 > 0.001)
{
zgradpulse(gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY)); /* delay = t1/2 */
delay(0.1*tau1);
zgradpulse(-gzlvlr,(0.4*tau1-2.0*GRADIENT_DELAY));
delay(0.1*tau1);
}
else
delay(tau1);
}
else
delay(tau1); /* delay = t1/2 */
}
dec2rgpulse(pwN, t4, 0.0, 0.0);
zgradpulse(gzlvl1,gt1);
decpower(dpwr); /* low power for decoupling */
dec2power(dpwr2);
delay(taunh - gt1 - 2.0*GRADIENT_DELAY-2.0*POWER_DELAY); /* delay = 1/2J(NH) */
delay(taunh);
status(C);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
SCT[MAXSTR], /* Semi-constant time flag for N-15 evolution */
CT_c[MAXSTR], /* Constant time flag for C-13 evolution */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauC = getval("tauC"), /* delay for CO to Ca evolution */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeTC = getval("timeTC"), /* constant time for 13C evolution */
t2a=0.0, t2b=0.0, halfT2=0.0, CTdelay=0.0,
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Ca (56ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 4.7 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (56ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 10.5 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC6" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
pwC9 = getval("pwC9"), /* 180 degree selective sinc pulse on CO(174ppm) */
phshift9, /* phase shift induced on Ca by pwC9 ("offC9") pulse */
pwZ, /* the largest of pwC9 and 2.0*pwN */
pwZ1, /* the larger of pwC8 and 2.0*pwN for 1D experiments */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
rf9, /* fine power for the pwC9 ("offC9") pulse */
dofCO, /* channel 2 offset for most CO pulses */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
csa, sna,
pra = M_PI*getval("pra")/180.0,
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt9 = getval("gt9"),
gt10 = getval("gt10"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7"),
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9"),
gzlvl10 = getval("gzlvl10");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("SCT",SCT);
getstr("CT_c",CT_c);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* offset during CO pulses, except for t1 evolution period */
dofCO = dof + 118.0*dfrq;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Ca, null at CO 118ppm away */
pwC1 = sqrt(15.0)/(4.0*118.0*dfrq);
rf1 = 4095.0*(compC*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
pwC2 = sqrt(3.0)/(2.0*118.0*dfrq);
rf2 = (compC*4095.0*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4095.0 )
{ printf("increase pwClvl so that C13 90 < 24us*(600/sfrq)"); psg_abort(1);}
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf9 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf9 = (int) (rf9 + 0.5); /* power than a square pulse */
/* the pwC9 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC8 > 2.0*pwN) pwZ = pwC8; else pwZ = 2.0*pwN;
if ((pwC9==0.0) && (pwC8>2.0*pwN)) pwZ1=pwC8-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC9 = pwC8;
if ( pwC9 > 0 ) phshift9 = 140.0;
else phshift9 = 0.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ; /* 7.5 kHz rf */
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* set up Projection-Reconstruction experiment */
tau1 = d2; tau2 = d3;
PRexp=0; csa = 1.0; sna = 0.0;
if((pra > 0.0) && (pra < 90.0)) /* PR experiments */
{
PRexp = 1;
csa = cos(pra);
sna = sin(pra);
tau1 = d2*csa;
tau2 = d2*sna;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if(SCT[A] == 'n')
{
if (PRexp)
{
if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);}
}
else
{
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
}
}
if(CT_c[A] == 'y')
{
if ( 0.5*ni*csa/sw1 > timeTC)
{ printf(" ni is too big. Make ni less than %d or less.\n",
((int)(timeTC*2.0*sw1/csa - 4e-6 - SAPS_DELAY))); psg_abort(1);}
}
if ( tauC < (gt7+1.0e-4+0.5*10.933*pwC)) gt7=(tauC-1.0e-4-0.5*10.933*pwC);
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
halfT2 = 0.0;
CTdelay = timeTN + pwC8 + WFG_START_DELAY - SAPS_DELAY;
if(ni>1)
{
if(f1180[A] == 'y') /* Set up f1180 */
tau1 += 0.5*csa/sw1; /* if not PRexp then csa = 1.0 */
if(PRexp)
{
halfT2 = 0.5*(ni-1)/sw1; /* ni2 is not defined */
if(f1180[A] == 'y')
{ tau2 += 0.5*sna/sw1; halfT2 += 0.25*sna/sw1; }
t2b = (double) t1_counter*((halfT2 - CTdelay)/((double)(ni-1)));
}
}
if (ni2>1)
{
halfT2 = 0.5*(ni2-1)/sw2;
if(f2180[A] == 'y') /* Set up f2180 */
{ tau2 += 0.5/sw2; halfT2 += 0.25/sw2; }
t2b = (double) t2_counter*((halfT2 - CTdelay)/((double)(ni2-1)));
}
tau1 = tau1/2.0;
tau2 = tau2/2.0;
if(tau1 < 0.2e-6) tau1 = 0.0;
if(tau2 < 0.2e-6) tau2 = 0.0;
if(t2b < 0.0) t2b = 0.0;
t2a = CTdelay - tau2 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
/* uncomment these lines to check t2a and t2b
printf("%d: t2a = %.12f", t2_counter,t2a);
printf(" ; t2b = %.12f\n", t2b);
*/
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
decoffset(dofCO);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
if (TROSY[A]=='y')
{txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
obspower(tpwrd); /* POWER_DELAY */
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN -0.5*kappa - POWER_DELAY - WFG3_START_DELAY);
}
else
{txphase(zero);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc",pwHs,zero,5.0e-4,0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
}
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(zero);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);}
zgradpulse(-gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf6);
decphase(one);
txphase(one);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
decoffset(dof);
zgradpulse(-gzlvl9, gt9);
decpwrf(rf1);
decphase(t3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decrgpulse(pwC1, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
if (ni==1.0) /* special 1D check of pwC9 phase enabled when ni=1 */
{
decpwrf(rf9);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC9", "", 0.0, pwC9, 2.0*pwN, zero, zero, zero,
2.0e-6, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else if(CT_c[A] == 'y') /* xxxxxxx 13Ca Constant Time EVOLUTION xxxxxxxx */
{
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG_START_DELAY -POWER_DELAY > 0.0) {
delay(tau1 -2.0*pwC1/PI -POWER_DELAY -WFG_START_DELAY);
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
}
else
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeTC- 2.0e-6 -WFG_STOP_DELAY-POWER_DELAY);
decpwrf(rf2);
decrgpulse(pwC2, zero, 2.0e-6, 2.0e-6); /* 13Ca 180 degree pulse */
delay(timeTC-tau1- 4.0e-6 -SAPS_DELAY);
phshift9 = 230.0; /* = 320-90 - correction for -90 degree phase shift in F1 */
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
}
else /* xxxxxxx 13Ca Conventional EVOLUTION xxxxxxxxx */
{
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 2.0*pwC1/PI compensates for evolution at 64% rate during pwC1 */
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ);
sim3shaped_pulse("", "offC9", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(tau1 - 2.0*pwC1/PI - SAPS_DELAY - 0.5*pwZ - 2.0e-6);
}
else
{
initval(180.0, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(2.0*tau1 - 4.0*pwC1/PI - SAPS_DELAY - 2.0e-6);
}
}
else /* 13Ca evolution refocused for 1st increment */
{
decpwrf(rf2);
delay(10.0e-6);
decrgpulse(pwC2, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
decphase(t5);
decpwrf(rf1);
decrgpulse(pwC1, t5, 2.0e-6, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
decoffset(dofCO);
decpwrf(rf6);
decphase(one);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl10, gt10);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf6);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl4, gt4);
txphase(one);
decphase(zero);
decpwrf(rf8);
dcplrphase(zero);
dec2phase(t8);
delay(2.0e-4);
if (TROSY[A]=='n')
{rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();}
dec2rgpulse(pwN, t8, 0.0, 0.0); /* N15 EVOLUTION BEGINS HERE */
dec2phase(t9);
if(SCT[A] == 'y')
{
delay(t2a);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
delay(t2b);
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0); /* WFG_START_DELAY */
}
else
{
delay(timeTN - WFG3_START_DELAY - tau2); /* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
}
dec2phase(t10);
decpwrf(rf3);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(kappa -pwC3 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
char f1180[MAXSTR],
f2180[MAXSTR],
f3180[MAXSTR],
mag_flg[MAXSTR];
int phase, icosel,
t1_counter,
t2_counter,
t3_counter;
double pwClvl,
pwC,
rf0 = 4095,
rfst,
compC = getval("compC"),
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwNlvl,
pwN,
tau1,
tau2,
tau3,
tauch, /* 3.4 ms */
taunh, /* 2.4 ms */
mix,
tofh,
dofcaco, /* ~120 ppm */
gt0, gzlvl0,
gt1,gzlvl1,
gzlvl2,
gzcal = getval("gzcal"),
gstab = getval("gstab"),
gt3,gzlvl3,
gt4,gzlvl4,
gt5,gzlvl5,
gt6,gzlvl6,
gt7,gzlvl7,
gt8, gzlvl8,
gt9, gzlvl9;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("mag_flg", mag_flg);
pwClvl = getval("pwClvl");
pwC = getval("pwC");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
mix = getval("mix");
tauch = getval("tauch");
taunh = getval("taunh");
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
phase = (int) (getval("phase") + 0.5);
phase2 = (int) (getval("phase2") + 0.5);
phase3 = (int) (getval("phase3") + 0.5);
gt0 = getval("gt0");
gt1 = getval("gt1");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
tofh = getval("tofh");
dofcaco = getval("dofcaco"); /* ~120 ppm */
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{
text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
ofs = getval("tof") - 1.75*getval("sfrq");
pws = getval("dof") + 85.0*ppm;
}
rfst = stC200.pwrf;
tofh = ofs;
dofcaco = pws;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[C] == 'y'))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if ((dpwr > 50) || (dpwr2 > 50))
{
printf("don't fry the probe, dpwr too high! ");
psg_abort(1);
}
/* Load phase cycling variables */
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 1, phi3);
settable(t4, 8, phi4);
settable(t5, 1, phi5);
settable(t11, 8, rec_1);
/* Phase incrementation for hypercomplex data */
if ( phase == 2 )
{
tsadd(t1,1,4);
}
if ( phase2 == 2 )
{
tsadd(t2,1,4);
}
if ( phase3 == 1 )
{
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
/* calculate modification to phases based on current t2 values
to achieve STATES-TPPI acquisition */
if(ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2)
{
tsadd(t1,2,4);
tsadd(t11,2,4);
}
if(ix == 1) d3_init = d3;
t2_counter = (int)((d3-d3_init)*sw2 + 0.5);
if(t2_counter % 2)
{
tsadd(t2,2,4);
tsadd(t11,2,4);
}
if(ix == 1) d4_init = d4;
t3_counter = (int)((d4-d4_init)*sw3 + 0.5);
if(t3_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* set up so that get (90, -180) phase corrects in F1 if f1180 flag is 'y' */
tau1 = d2;
if(f1180[A] == 'y')
{
tau1 += (1.0/(2.0*sw1));
}
if (tau1 < 0.2e-6) tau1 = 0.0;
tau1 = tau1/2.0;
/* set up so that get (90, -180) phase corrects in F2 if f2180 flag is 'y' */
tau2 = d3 - (4.0*pwC/PI + 2.0*pw + 2.0e-6);
if (dm[B] == 'y')
{
tau2 = tau2 - (2.0*POWER_DELAY + PRG_START_DELAY + PRG_STOP_DELAY);
}
if(f2180[A] == 'y')
{
tau2 += (1.0/(2.0*sw2));
}
if (tau2 < 0.2e-6) tau2 = 0.0;
tau2 = tau2/2.0;
/* set up so that get (90, -180) phase corrects in F3 if f3180 flag is 'y' */
tau3 = d4;
if(f3180[A] == 'y')
{
tau3 += (1.0/(2.0*sw3));
}
if (tau3 < 0.2e-6) tau3 = 0.0;
tau3 = tau3/2.0;
initval(315.0, v7);
obsstepsize(1.0);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(10.0e-6);
obspower(tpwr);
decpower(pwClvl);
decpwrf(rf0);
dec2power(pwNlvl);
obsoffset(tofh);
decoffset(dof);
dec2offset(dof2);
txphase(t1);
xmtrphase(v7);
delay(d1);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,2.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
zgradpulse(gzlvl0,gt0);
delay(1.0e-3);
}
decphase(t2);
rgpulse(pw,t1,2.0e-6,0.0);
xmtrphase(zero);
zgradpulse(gzlvl3,gt3);
delay(tauch - gt3);
decrgpulse(pwC,t2,2.0e-6,0.0);
status(B);
decpower(dpwr);
delay(tau2);
rgpulse(2.0*pw,t1,0.0,0.0);
decphase(zero);
if (tau2 > 2.0*pwN)
{
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau2 - 2.0*pwN);
}
else
delay(tau2);
status(A);
decpower(pwClvl);
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(tauch + tau1 + SAPS_DELAY - gt3 - 4.0*pwC - 500.0e-6);
zgradpulse(gzlvl3,gt3);
delay(500.0e-6);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,0.0,0.0);
delay(mix - gt4 - gt5 - pwN - 2.0e-3);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(1.0e-3);
sim3pulse((double)0.0,pwC,pwN,zero,zero,zero,0.0,2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(1.0e-3);
rgpulse(pw,zero,0.0,2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(taunh - gt6 - 2.0e-6);
sim3pulse(2.0*pw,(double)0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(taunh - gt6 - 500.0e-6);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(500.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco);
decpwrf(rfst);
delay(200.0e-6);
dec2rgpulse(pwN,t3,0.0,0.0);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 0.0, 0.0);
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tau3);
delay(gt1 + 202.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 0.0, 2.0e-6);
dec2phase(t5);
if(mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
delay(4.0*GRADIENT_DELAY);
}
delay(200.0e-6 + WFG_START_DELAY + WFG_STOP_DELAY - 6.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 0.0, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(taunh - gt8);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(taunh - gt8 - 400.0e-6);
zgradpulse(gzlvl8, gt8);
txphase(one);
dec2phase(one);
delay(400.0e-6);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(taunh - gt9);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl9, gt9);
delay(taunh - gt9);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + gstab - 0.5*pw + 6.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if(mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
delay(4.0*GRADIENT_DELAY);
}
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mess_flg[MAXSTR], /* water purging */
ar180a[MAXSTR], /* waveform shape for aromatic 180 pulse
with C transmitter at dof */
cb180b[MAXSTR], /* waveform shape for aliphatic 180 pulse
with C transmitter at dofar */
ar180b[MAXSTR]; /* waveform shape for aromatic 180 pulse
with C transmitter at dofar */
int phase, ni,
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
taua, /* ~ 1/4JCbHb = 1.7 ms */
taub, /* ~ 1/4JCgCd = 2.7 ms */
tauc, /* ~ 1/4JCgCd = 2.1 ms */
taud, /* ~ 1/4JCdHd = 1.5 ms */
taue, /* = 1/4JCbHb = 1.8 ms */
tauf, /* 2(tauc-tauf) ~ 1/2JCdHd = 3.1 ms */
TCb, /* carbon constant time period
for recording the Cb chemical shifts */
dly_pg1, /* delay for water purging */
pwar180a, /* 180 aro pulse at d_ar180a and dof */
pwcb180b, /* 180 cb pulse at d_cb180b and dofar */
pwC, /* 90 c pulse at pwClvl */
pwsel90, /* 90 c pulse at d_sel90 */
pwar180b, /* 180 c pulse at d_ar180b */
compC, /* C-13 RF calibration parameters */
compH,
d_ar180a,
d_cb180b,
d_sel90,
d_ar180b,
dofar,
tsatpwr, /* low level 1H trans.power for presat */
tpwrmess, /* power level for water purging */
tpwrml, /* power level for 1H decoupling */
pwmlev, /* 90 pulse at tpwrml */
pwClvl, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
at,
gp11, /* gap between 90-90 for selective 180 of Cb */
fab, /* chemical shift difference of Ca-Cb (Hz) */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("mess_flg",mess_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
taue = getval("taue");
tauf = getval("tauf");
TCb = getval("TCb");
pwC = getval("pwC");
dofar = getval("dofar");
dly_pg1 = getval("dly_pg1");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
tpwrmess = getval("tpwrmess");
tpwrml = getval("tpwrml");
pwClvl = getval("pwClvl");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
at = getval("at");
fab = getval("fab");
if(autocal[0]=='n')
{
getstr("ar180a",ar180a);
getstr("ar180b",ar180b);
getstr("cb180b",cb180b);
pwar180a = getval("pwar180a");
pwar180b = getval("pwar180b");
pwcb180b = getval("pwcb180b");
pwsel90 = getval("pwsel90");
d_ar180a = getval("d_ar180a");
d_cb180b = getval("d_cb180b");
d_ar180b = getval("d_ar180b");
d_sel90 = getval("d_sel90");
pwmlev = getval("pwmlev");
}
else
{
strcpy(ar180a,"Pg3_off_cb180a");
strcpy(ar180b,"Pg3_off_cb180b");
strcpy(cb180b,"Pg3_on");
if (FIRST_FID)
{
compC = getval("compC");
compH = getval("compH");
sel90 = pbox("cal", SEL90, "", dfrq, compC*pwC, pwClvl);
ar_180a = pbox(ar180a, AR180a, CB180ps, dfrq, compC*pwC, pwClvl);
ar_180b = pbox(ar180b, AR180b, CB180ps, dfrq, compC*pwC, pwClvl);
cb_180b = pbox(cb180b, CB180b, CB180ps, dfrq, compC*pwC, pwClvl);
w16 = pbox_dec("cal", "WALTZ16", tpwrml, sfrq, compH*pw, tpwr);
}
pwsel90 = sel90.pw; d_sel90 = sel90.pwr;
pwar180a = ar_180a.pw; d_ar180a = ar_180a.pwr;
pwar180b = ar_180b.pw; d_ar180b = ar_180b.pwr;
pwcb180b = cb_180b.pw; d_cb180b = cb_180b.pwr;
pwmlev = 1.0/w16.dmf;
}
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gstab = getval("gstab");
gt7 = getval("gt7");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( 0.5*ni*1/(sw1) > TCb - 2*POWER_DELAY
- WFG_START_DELAY - pwar180a - WFG_STOP_DELAY)
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if(dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' )
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( tpwrml > 53 )
{
printf("tpwrml too large !!! ");
psg_abort(1);
}
if( tpwrmess > 56 )
{
printf("tpwrmess too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwcb180b > 500.0e-6 )
{
printf("dont fry the probe, pwcb180b too high ! ");
psg_abort(1);
}
if( pwar180a > 500.0e-6 )
{
printf("dont fry the probe, pwar180a too high ! ");
psg_abort(1);
}
if (pwar180b > 500.0e-6)
{
printf("dont fry the probe, pwar180b too long !");
psg_abort(1);
}
if (pwsel90 > 100.0e-6)
{
printf("dont fry the probe, pwsel90 too long !");
psg_abort(1);
}
if(d_ar180a > 60)
{
printf("dont fry the probe, d_ar180a too high !");
psg_abort(1);
}
if(d_cb180b > 60)
{
printf("dont fry the probe, d_cb180b too high !");
psg_abort(1);
}
if (d_ar180b > 60)
{
printf("dont fry the probe, d_ar180b too high ! ");
psg_abort(1);
}
if (d_sel90 > 50)
{
printf("dont fry the probe, d_sel90 too high ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if( fabs(gzlvl0) > 30000 || fabs(gzlvl1) > 30000 || fabs(gzlvl2) > 30000
||fabs(gzlvl3) > 30000 || fabs(gzlvl4) > 30000 || fabs(gzlvl5) > 30000
||fabs(gzlvl6) > 30000 || fabs(gzlvl7) > 30000)
{
printf("too strong gradient");
psg_abort(1);
}
if( 2*TCb - taue > 0.1 )
{
printf("dont fry the probe, too long TCb");
psg_abort(1);
}
if( at > 0.1 && (dm[C]=='y' || dm2[C]=='y'))
{
printf("dont fry the probe, too long at with decoupling");
psg_abort(1);
}
if( pwC > 30.0e-6)
{
printf("dont fry the probe, too long pwC");
psg_abort(1);
}
if( dly_pg1 > 10.0e-3)
{
printf("dont fry the probe, too long dly_pg1");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t2,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
}
tau1 = tau1/2.0;
/* 90-90 pulse for selective 180 of Cb but not Ca */
gp11 = 1/(2*fab) - 4/PI*pwsel90;
if (gp11 < 0.0) {
printf("gap of 90-90 negative, check fab and pwsel90");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
/* Receiver off time */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
if(mess_flg[A] == 'y') {
obspower(tpwrmess);
rgpulse(dly_pg1,zero,20.0e-6,20.0e-6);
rgpulse(dly_pg1/1.62,one,20.0e-6,20.0e-6);
obspower(tsatpwr);
}
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,20.0e-6,20.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
rcvroff();
delay(10.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwC,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
txphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6);
rgpulse(pw,t1,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decphase(t2);
decpower(d_sel90);
decrgpulse(pwsel90,t2,2.0e-6,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0); /* bs effect */
delay(taue
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* Hldecoupling on */
delay(TCb + tau1 - taue - POWER_DELAY - 2.0e-6);
decphase(t3);
decpower(d_sel90);
decrgpulse(pwsel90,t3,2.0e-6,0.0);
delay(gp11);
decrgpulse(pwsel90,t3,0.0,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0);
delay(TCb - tau1
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
obspower(tpwr);
/* H decoupling off */
decoffset(dofar);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decphase(t4);
decpower(d_sel90);
decrgpulse(pwsel90,t4,2.0e-6,0.0);
decphase(zero);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0); /* B.S. */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - WFG_START_DELAY - 2.0e-6);
decphase(zero);
decpower(d_ar180b);
decshaped_pulse(ar180b,pwar180b,zero,2.0e-6,0.0);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- WFG_STOP_DELAY
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt5 - 102.0e-6 - 2.0e-6);
decphase(t5);
decpower(pwClvl);
decrgpulse(2*pwC,t5,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
txphase(zero);
delay(tauf - gt5 - 102.0e-6);
rgpulse(2*pw,zero,0.0,0.0);
delay(tauc - tauf - 2*pw
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(pwClvl);
simpulse(2*pw,2*pwC,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- 2*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,0.0);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
SE_flg[MAXSTR],
dec_flg[MAXSTR],
CT_flg[MAXSTR];
int icosel=1,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,
lambda = getval("lambda"),
CTdelay = getval("CTdelay"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1,
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
timeTN = getval("timeTN"),
tauC = getval("tauC"),
tau1 = getval("tau1"),
tau2 = getval("tau2"),
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("SE_flg",SE_flg);
getstr("dec_flg",dec_flg);
getstr("CT_flg",CT_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t10,1,phi10);
settable(t12,4,phi12);
settable(t13,4,phi13);
/* INITIALIZE VARIABLES */
shpw1 = pw*8.0;
shlvl1 = tpwr;
pwS1 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS3 = c13pulsepw("ca", "co", "square", 180.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if (SE_flg[0] == 'y')
{
if ( ni2*1/(sw2)/2.0 > (timeTN-pwS2*0.5-pwS4))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-pwS2*0.5-pwS4)*2.0*sw2))); psg_abort(1);}
}
else
{
if ( ni2*1/(sw2)/2.0 > (timeTN-pwS2*0.5))
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN-pwS2*0.5)*2.0*sw2))); psg_abort(1);}
}
if (CT_flg[0] == 'y')
{
if ( ni*1/(sw1) > (CTdelay))
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)(CTdelay*sw1))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
if (SE_flg[0] =='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else
{
if (phase2 == 2) tsadd(t3,1,4);
}
tau1 = d2;
if((f1180[A] == 'y') )
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
tau2 = d3;
if((f2180[A] == 'y') )
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
zgradpulse(gzlvl2, gt2);
delay(1.0e-4);
delay(d1-gt2);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
obspower(shlvl1);
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
zgradpulse(gzlvl6,gt6);
delay(timeTN-pwS2*0.5-gt6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-taunh*0.5-shpw1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
zgradpulse(gzlvl6, gt6);
delay(taunh*0.5-gt6);
dec2rgpulse(pwN,zero,0.0,0.0);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
/**************************************************************************/
/*** CO -> CA transfer *********************************/
/**************************************************************************/
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
zgradpulse(-gzlvl4, gt4);
decphase(zero);
delay(tauC - gt4 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(-gzlvl4, gt4);
decphase(one);
delay(tauC - gt4 - 0.5*10.933*pwC - WFG_START_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
if (CT_flg[0] == 'y')
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
delay(tau1*0.5);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
delay(CTdelay*0.5);
c13pulse("cab", "co", "square", 180.0, zero, 0.0, 0.0);
delay((CTdelay-tau1)*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
}
else
{
if (dec_flg[0] == 'y')
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
c_shapedpulse2("isnob5",30.0,-31.0,"isnob5",30.0,120.0 , zero, 0.0, 0.0);
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN*2.0,two,0.0,0.0);
c_shapedpulse2("isnob5",30.0,-31.0,"isnob5",30.0,120.0 , two, 0.0, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 2.0e-6);
}
else
{
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
if (pwN*2.0 > pwS2) delay(pwN*2.0 - pwS2);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 2.0e-6);
}
}
set_c13offset("co");
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
/**************************************************************************/
/*** CO -> CA transfer *********************************/
/**************************************************************************/
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 0.0);
zgradpulse(gzlvl4, gt4*0.7);
delay(tauC - gt4*0.7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(gzlvl4, gt4*0.7);
delay(tauC - gt4*0.7 - 0.5*10.933*pwC - WFG_START_DELAY - 2.0e-6);
/* WFG_START_DELAY */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/**************************************************************************/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,0.0,0.0);
dec2rgpulse(pwN,t3,0.0,0.0);
if (SE_flg[0] == 'y')
{
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(taunh*0.5-pwS3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-pwS2*0.5-shpw1-taunh*0.5-gt1-1.0e-4);
zgradpulse(-gzlvl1, gt1);
delay(1.0e-4);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-tau2*0.5-pwS4);
h_shapedpulse("eburp2",shbw,shofs,zero, 2.0e-6, 0.0);
dec2rgpulse(pwN, t10, 0.0, 0.0);
}
else
{
delay(tau2*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(taunh*0.5-pwS3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(timeTN-pwS2*0.5-taunh*0.5-shpw1);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(timeTN-pwS2*0.5-tau2*0.5);
dec2rgpulse(pwN, zero, 0.0, 0.0);
}
/**************************************************************************/
if (SE_flg[0] == 'y')
{
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
dec2rgpulse(pwN, one, 0.0, 0.0);
h_shapedpulse("eburp2_",shbw,shofs,one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
delay(lambda-pwS4*0.5-pwS6*0.4);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab + 2.0*GRADIENT_DELAY + POWER_DELAY);
h_shapedpulse("reburp",shbw,shofs,zero, 0.0, rof2);
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
h_shapedpulse("eburp2",shbw,shofs,zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.4 - gt5-POWER_DELAY-1.0e-4);
}
dec2power(dpwr2); /* POWER_DELAY */
lk_sample();
if (SE_flg[0] == 'y')
setreceiver(t13);
else
setreceiver(t12);
rcvron();
statusdelay(C,1.0e-4 );
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic-angle coherence transfer gradients */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
NH2only[MAXSTR]; /* spectrum of only NH2 groups */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni2 = getval("ni2");
double tau1, /* t1 delay */
mix = getval("mix"), /* NOESY mix time */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
csa, sna,
pra = M_PI*getval("pra")/180.0,
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
/* the sech/tanh pulse is automatically calculated by the macro "biocal", */
/* and is called directly from your shapelib. */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the stCall pulse */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
dof100, /* C13 frequency at 100ppm for both aliphatic & aromatic*/
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback pulse*/
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gzcal=getval("gzcal"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl6 = getval("gzlvl6"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
csa = cos(pra);
sna = sin(pra);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t9,16,phi9);
settable(t10,1,phi10);
settable(t11,8,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0;
rfst=0.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if (C13refoc[A]=='y')
{
ppm = getval("dfrq");
ofs = 0.0;
pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm;
nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
}
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC200.pwrf;
}
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
dof100 = dof + 65.0*dfrq;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( (mix - gt4 - gt5) < 0.0 )
{ text_error("mix is too small. Make mix equal to %f or more.\n",(gt4 + gt5));
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
if (phase2 == 1)
{
tsadd(t10,2,4);
icosel = 1;
}
else icosel = -1;
/* Set up f1180 */
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
if(PRexp) /* set up Projection-Reconstruction experiment */
tau1 = d2*csa;
else
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
tau1 = tau1/2.0;
/* Set up f2180 */
if(PRexp)
tau2 = d2*sna;
else
{
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.0;
}
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{
tsadd(t1,2,4);
tsadd(t11,2,4);
}
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{
tsadd(t3,2,4);
tsadd(t11,2,4);
}
/* Correct inverted signals for NH2 only spectra */
if (NH2only[A]=='y')
{
tsadd(t3,2,4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decoffset(dof);
decpwrf(rf0);
txphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
txphase(t1);
decphase(zero);
dec2phase(zero);
initval(135.0,v1);
obsstepsize(1.0);
xmtrphase(v1);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* 1H pulse excitation */
xmtrphase(zero); /* SAPS_DELAY */
txphase(zero);
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
if (tau1>0.002)
{
zgradpulse(gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
}
else
{
delay(tau1-pwN-0.64*pw);
}
if (C13refoc[A]=='y')
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
else
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
if (tau1>0.002)
{
zgradpulse(-1.0*gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
}
else
{
delay(tau1-pwN-0.64*pw);
}
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
rgpulse(pw, zero, 0.0, 0.0);
delay(mix - gt4 - gt5 -gstab -200.0e-6);
dec2rgpulse(pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(gstab);
rgpulse(pw, zero, 200.0e-6,0.0); /* HSQC begins */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(two);
if (tpwrsf<4095.0)
{
obspower(tpwrs+6.0);
obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
obspwrf(4095.0);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
decpwrf(rfst);
decoffset(dof100);
delay(2.0e-4);
dec2rgpulse(pwN, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if (NH2only[A]=='y')
{
delay(tau2);
/* optional sech/tanh pulse in middle of t2 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{ decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw);
}
else
{
delay(tNH - 2.0*pw);
}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau2);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else
{
if ( (C13refoc[A]=='y') && (tau2 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau2 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau2 - 0.5e-3);
delay(gt1 + 2.0e-4);
}
else
{ delay(tau2);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau2);
}
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(one);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - pwN - 0.5*pw - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4+ gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
}
delay(gstab);
rcvron();
statusdelay(C,1.0e-4-rof1);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ribose[MAXSTR], /* ribose CHn groups only */
AH2H8[MAXSTR], /* Adenine H2-H8 correlation */
H2Opurge[MAXSTR],
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
taua = getval("taua"), /* time delays for CH coupling evolution */
taub = getval("taub"),
tauc = getval("tauc"),
/* string parameter rna_stCdec calls stud decoupling waveform from your shapelib.*/
studlvl, /* coarse power for STUD+ decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
dofa, /* dof shifted to 80 ppm for ribose and 145 ppm for AH2H8 */
tofa, /* tof shifted to 7.5 ppm in t1 for AH2H8 */
/* p_d is used to calculate the isotropic mixing on the C-ribose region */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC */
rfdC, /* fine power for 7.5 kHz or 4.0 kHz rf at 500MHz */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
grecov = getval("grecov"), /* Gradient recovery delay, typically 150-200us */
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("ribose",ribose);
getstr("AH2H8",AH2H8);
getstr("H2Opurge",H2Opurge);
getstr("STUD",STUD);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t5,4,phi5);
settable(t9,8,phi9);
settable(t11,8,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
if (ribose[A] == 'y')
{
/* Center dof in RIBOSE region on 80ppm. */
tofa = tof;
dofa = dof - 30.0*dfrq;
/* dipsi-3 decoupling on C-ribose */
p_d = (5.0)/(9.0*4.0*7000.0*(sfrq/800)); /* 35ppm DIPSI-3 */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
ncyc = (int) (ncyc + 0.5);
}
else
{
/* Center dof in adenine C2-C4-C6-C8-C5 region on 145 ppm. */
tofa = tof + 2.5*sfrq;
dofa = dof + 35.0*dfrq;
/* dipsi-3 decoupling on C-aromatic */
p_d = (5.0)/(9.0*4.0*8000.0*(sfrq/800)); /* 40ppm DIPSI-3 */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
ncyc = (int) (ncyc + 0.5);
}
/* 80 ppm STUD+ decoupling */
strcpy(rna_stCdec, "wurst80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((ribose[A] == 'y' && AH2H8[A] == 'y' ))
{ text_error("Choose either ribose='y' or AH2H8='y' !! ");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1); }
if( (((dm[C] == 'y') && (dm2[C] == 'y')) && (STUD[A] == 'y')) )
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' if STUD='y'"); psg_abort(1); }
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); }
if( dpwr > 50 )
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ text_error ("Deuterium decoupling power too high ! "); psg_abort(1); }
if ((ncyc > 1 ) && (ix == 1))
{ text_error("mixing time is %f ms.\n",(ncyc*97.8*4*p_d)); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t3,1,4);
if (phase2 == 2)
tsadd(t5,1,4);
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if(f1180[A] == 'y')
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if(f2180[A] == 'y')
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B] == 'y') lk_sample();
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rfC);
obsoffset(tofa);
decoffset(dofa);
dec2offset(dof2);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(grecov/2);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if (dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taua + tau1 - gt0 - 2.0*GRADIENT_DELAY - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
txphase(one);
decphase(t5);
obsoffset(tof);
delay(taua - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(grecov);
decrgpulse(pwC, t5, 0.0, 0.0);
delay(tau2);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taub - 2.0*pwN - gt4 - 2.0*GRADIENT_DELAY);
txphase(zero);
decpwrf(rfC);
delay(taub - 2.0*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(tau2);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(taub);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decpwrf(rfdC);
delay(taub - gt4 - 2.0*GRADIENT_DELAY);
decrgpulse(1.0e-3, zero, 0.0, 0.0);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(5.0*p_d,one,0.0,0.0);
decrgpulse(5.5*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.6*p_d,three,0.0,0.0);
decrgpulse(7.2*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.4*p_d,one,0.0,0.0);
decrgpulse(6.8*p_d,three,0.0,0.0);
decrgpulse(7.0*p_d,one,0.0,0.0);
decrgpulse(5.2*p_d,three,0.0,0.0);
decrgpulse(5.4*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.5*p_d,one,0.0,0.0);
decrgpulse(7.3*p_d,three,0.0,0.0);
decrgpulse(5.1*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(5.0*p_d,three,0.0,0.0);
decrgpulse(5.5*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.6*p_d,one,0.0,0.0);
decrgpulse(7.2*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.4*p_d,three,0.0,0.0);
decrgpulse(6.8*p_d,one,0.0,0.0);
decrgpulse(7.0*p_d,three,0.0,0.0);
decrgpulse(5.2*p_d,one,0.0,0.0);
decrgpulse(5.4*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.5*p_d,three,0.0,0.0);
decrgpulse(7.3*p_d,one,0.0,0.0);
decrgpulse(5.1*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(5.0*p_d,three,0.0,0.0);
decrgpulse(5.5*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.6*p_d,one,0.0,0.0);
decrgpulse(7.2*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.4*p_d,three,0.0,0.0);
decrgpulse(6.8*p_d,one,0.0,0.0);
decrgpulse(7.0*p_d,three,0.0,0.0);
decrgpulse(5.2*p_d,one,0.0,0.0);
decrgpulse(5.4*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.5*p_d,three,0.0,0.0);
decrgpulse(7.3*p_d,one,0.0,0.0);
decrgpulse(5.1*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(5.0*p_d,one,0.0,0.0);
decrgpulse(5.5*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.6*p_d,three,0.0,0.0);
decrgpulse(7.2*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.4*p_d,one,0.0,0.0);
decrgpulse(6.8*p_d,three,0.0,0.0);
decrgpulse(7.0*p_d,one,0.0,0.0);
decrgpulse(5.2*p_d,three,0.0,0.0);
decrgpulse(5.4*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.5*p_d,one,0.0,0.0);
decrgpulse(7.3*p_d,three,0.0,0.0);
decrgpulse(5.1*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
endhardloop();
decrgpulse(9.0*p_d/5.0, t9, 2.0e-6, 0.0);
if( H2Opurge[A] == 'y' )
{obspwrf(1000.0); rgpulse(900*pw, zero, 0.0, 0.0);
rgpulse(500*pw, one, 0.0, 0.0); obspwrf(4095.0); }
zgradpulse(gzlvl7, gt7);
decpwrf(rfC);
delay(50.0e-6);
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl7, gt7/1.6);
decrgpulse(pwC, three, 100.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(tauc - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauc - gt5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
delay(grecov);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(taua - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
if (STUD[A]=='y') decpower(studlvl);
else
{
decpower(dpwr);
dec2power(dpwr2);
}
delay(taua - gt5);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y') lk_sample();
setreceiver(t11);
if ((STUD[A]=='y') && (dm[C] == 'y'))
{
decpower(studlvl);
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
}
