void pulsesequence()
{
double pwxlvl,
pwx,
gzlvl1,
gt1,
gzlvl3,
gt3,
gstab,
tau,
j1xh;
pwxlvl = getval("pwxlvl");
pwx = getval("pwx");
gzlvl1 = getval("gzlvl1");
gzlvl3 = getval("gzlvl3");
gt1 = getval("gt1");
gt3 = getval("gt3");
gstab = getval("gstab");
j1xh = getval("j1xh");
tau = 1/(4*j1xh);
assign(zero,oph);
status(A);
decpower(pwxlvl);
obspower(tpwr);
delay(d1);
status(B);
rgpulse(pw,zero,rof1,rof1);
delay(tau);
simpulse(2*pw,2*pwx,zero,zero,rof1,rof1);
delay(tau);
simpulse(pw,pwx,one,zero,rof1,rof1);
delay(gt1+gstab + 2*GRADIENT_DELAY);
decrgpulse(2*pwx,zero,rof1,rof1);
zgradpulse(gzlvl1,gt1);
delay(gstab);
simpulse(pw,pwx,zero,zero,rof1,rof1);
delay(tau - (2*pw/PI) - 2*rof1);
simpulse(2*pw,2*pwx,zero,zero,rof1, rof2);
decpower(dpwr);
zgradpulse(gzlvl3,gt3);
delay(tau - gt3 - 2*GRADIENT_DELAY - POWER_DELAY);
status(C);
}
void pulsesequence()
{
double jc13,jtau;
jc13 = getval("jc13");
jtau = 1.0 / (2.0 * jc13);
mod4(ct, v1); /* v1 = 0 1 2 3 */
dbl(v1, v10); /* v10 = 0 2 0 2 */
hlv(ct, v2);
hlv(v2, v2);
mod4(v2, v2); /* v2 = 0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3 */
add(v2, v1, v1);
assign(v2, oph);
add(v10, oph, oph);
status(A);
hsdelay(d1);
if (getflag("wet")) wet4(zero,one);
status(C);
rgpulse(pw, v2, rof1, rof2);
jtau -= pw + rof2;
delay(jtau - rof1);
simpulse(2*pw, pwx, v1, zero, rof1, rof2);
delay(jtau);
status(C);
}
pulsesequence()
{
double pp;
pp = getval("pp");
/* calculate phases */
mod2(ct,v1); /* 0101 */
dbl(v1,v1); /* 0202 */
hlv(ct,v2); /* 0011 2233 */
mod2(v2,v2); /* 0011 0011 */
add(v1,v2,v1); /* 0213 0213*/
assign(v1,oph);
status(A);
hsdelay(d1);
status(B);
pulse(pw, v1);
delay(d2);
if (declvlonoff)
declvlon(); /* sets power to pplvl */
else
decpower(pplvl);
simpulse(p1, pp, v1, v1, rof1, rof1);
if (declvlonoff)
declvloff();
else
decpower(dpwr);
delay(d2);
status(C);
}
void pulsesequence()
{
double j1xh,
pwxlvl,
pwx,
tau;
pwxlvl = getval("pwxlvl");
pwx = getval("pwx");
j1xh = getval("j1xh");
tau = 1.0 / (2.0*j1xh);
settable(t1, 4, ph1);
settable(t2, 4, ph2);
getelem(t1, ct, v1);
getelem(t2, ct, oph);
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
status(A);
decpower(pwxlvl);
delay(d1);
status(B);
rgpulse(pw, zero, rof1, rof1);
delay(tau - (2*pw/PI) - 2*rof1);
simpulse(2*pw,pwx,v1,zero,rof1,rof2);
decpower(dpwr);
delay(tau - POWER_DELAY);
status(C);
}
void pulsesequence()
{
int rxgate;
double pp,
pplvl;
pp = getval("pp");
pplvl = getval("pplvl");
rxgate = (rof1 == 0.0);
if (rxgate)
rof1 = 1.0e-6; /* phase switching time */
if (newdecamp)
{
if (rxgate)
rof1 = 40.0e-6;
}
status(A);
hsdelay(d1);
status(B);
settable(t1,4,phasecycle);
pulse(pw, t1);
delay(d2);
if (newdecamp)
{
pplvl = getval("pplvl");
decpower(pplvl); /* sets DEC atten = pplvl */
}
else
{
declvlon(); /* sets dhp = 255 level */
}
simpulse(p1, pp, t1, t1, rof1, rof1);
if (newdecamp)
{
decpower(dpwr); /* sets DEC atten = dpwr */
}
else
{
declvloff();
}
delay(d2);
status(C);
setreceiver(t1);
}
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()
{
double gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
mult = getval("mult"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
tau,
evolcorr,
taug;
int icosel,
phase1 = (int)(getval("phase")+0.5),
ZZgsign;
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",0.5);
gzlvlE = syncGradLvl("gtE","gzlvlE",0.5);
tau = 1/(4*(getval("j1xh")));
evolcorr = 2*pw+4.0e-6;
if (mult > 0.5)
taug = 2*tau;
else
taug = gtE + gstab + 2*GRADIENT_DELAY;
ZZgsign=-1;
if (mult == 2) ZZgsign=1;
icosel = 1;
settable(t1,4,ph1);
settable(t2,2,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
settable(t5,16,ph5);
getelem(t2,ct,v2);
getelem(t5,ct,oph);
/*
mod2(id2,v14);
dbl(v14,v14);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
add(v2,v14,v2);
add(oph,v14,oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,zero,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(pwxlvl);
status(B);
if (getflag("nullflg"))
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2.0*pw,2.0*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
rgpulse(pw,zero,rof1,rof1);
delay(tau);
simpulse(2*pw,2*pwx,zero,zero,rof1,rof1);
delay(tau);
rgpulse(pw,t1,rof1,rof1);
zgradpulse(hsglvl,2*hsgt);
delay(1e-3);
decrgpulse(pwx,v2,rof1,2.0e-6);
delay(d2/2);
rgpulse(2*pw,zero,2.0e-6,2.0e-6);
delay(d2/2);
zgradpulse(gzlvlE,gtE);
delay(taug - gtE - 2*GRADIENT_DELAY);
simpulse(mult*pw,2*pwx,zero,zero,rof1,rof1);
delay(taug + evolcorr);
decrgpulse(pwx,t4,2.0e-6,rof1);
zgradpulse(ZZgsign*0.6*hsglvl,1.2*hsgt);
delay(1e-3);
rgpulse(pw,t3,rof1,rof1);
delay(tau - (2*pw/PI) - 2*rof1);
simpulse(2*pw,2*pwx,zero,zero,rof1, rof2);
decpower(dpwr);
zgradpulse(icosel*2.0*gzlvlE/EDratio,gtE/2.0);
delay(tau - gtE/2.0 - 2*GRADIENT_DELAY - POWER_DELAY);
status(C);
}
pulsesequence()
{
double hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
slpwT = getval("slpwT"),
slpwrT = getval("slpwrT"),
trim = getval("trim"),
mixT = getval("mixT"),
mult = getval("mult"),
tau,
null = getval("null");
char slpatT[MAXSTR];
int phase1 = (int)(getval("phase")+0.5);
tau = 1/(4*(getval("j1xh")));
getstr("slpatT",slpatT);
if (strcmp(slpatT,"mlev17c") &&
strcmp(slpatT,"dipsi2") &&
strcmp(slpatT,"dipsi3") &&
strcmp(slpatT,"mlev17") &&
strcmp(slpatT,"mlev16"))
abort_message("SpinLock pattern %s not supported!.\n", slpatT);
settable(t1,8,phs1);
settable(t2,8,phs2);
settable(t3,2,phs3);
settable(t4,1,phs4);
settable(t5,4,phs5);
getelem(t3,ct,v6);
getelem(t2,ct,oph);
assign(two,v3);
sub(v3,one,v2);
add(v3,one,v4);
add(v3,two,v5);
/*
mod2(id2,v14);
dbl(v14,v14);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if (phase1 == 2)
incr(v6);
add(v14, v6, v6);
add(v14, oph, oph);
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,zero,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(pwxlvl);
status(B);
if ((getflag("PFGflg")) && (getflag("nullflg")))
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2.0*pw,2.0*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
else if (null != 0.0)
{
rgpulse(pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2*pw,2*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(pw,two,rof1,rof1);
if (satmode[1] == 'y')
satpulse(null,zero,rof1,rof1);
else
delay(null);
}
rgpulse(pw, t1, rof1, rof1);
delay(2*tau - (2*pw/PI) - 2*rof1);
decrgpulse(pwx, v6, rof1, 1.0e-6);
if (d2 > 0.0)
delay(d2/2.0 - pw - 3.0e-6 - (2*pwx/PI));
else
delay(d2/2.0);
rgpulse(2.0*pw, t4, 2.0e-6, 2.0e-6);
if (d2 > 0.0)
delay(d2/2.0 - pw - 3.0e-6 - (2*pwx/PI));
else
delay(d2/2.0);
decrgpulse(pwx, t5, 1.0e-6, rof1);
obspower(slpwrT);
decpower(dpwr);
delay(2*tau - rof1 - 2*POWER_DELAY);
if (mixT > 0.0)
{
rgpulse(trim,v5,0.0,0.0);
if (dps_flag)
rgpulse(mixT,v3,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v2,v3,v4,v5,v9);
}
if (mult > 0.5)
{
obspower(tpwr);
obspower(pwxlvl);
delay(2*tau - POWER_DELAY - rof1);
simpulse(2*pw,mult*pwx,zero,zero,rof1,rof2);
decpower(dpwr);
delay(2*tau);
}
else
delay(rof2);
status(C);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni = getval("ni"),
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
zeta = getval("zeta"), /* zeta delay, 0.006 for 1D, 0.011 for 2D*/
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeCH = 1.1e-3, /* other delays */
timeAB = 3.3e-3,
kappa = 5.4e-3,
lambda = 2.4e-3,
csa, sna,
pra = M_PI*getval("pra")/180.0,
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab(46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Cab(46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "biocal". SLP pulse shapes, "offC7" etc are called */
/* directly from your shapelib. */
pwC7, /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC7 ("offC7") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwH, /* H1 90 degree pulse length at tpwr1 */
tpwr1, /* 9.2 kHz rf magnet for DIPSI-2 */
DIPSI2time, /* total length of DIPSI-2 decoupling */
ncyc_dec,
waltzB1=getval("waltzB1"),
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
csa = cos(pra);
sna = sin(pra);
/* LOAD PHASE TABLE */
settable(t3,1,phx);
settable(t4,1,phx);
if (TROSY[A]=='y')
{settable(t8,2,phi8T);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,2,recT);}
else
{settable(t8,2,phi8);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* set zeta to 6ms for 1D spectral check, otherwise it will be the */
/* value in the dg2 parameter set (about 11ms) for 2D/13C and 3D work */
if (ni>1) zeta = zeta;
else zeta = 0.006;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*dfrq);
rf1 = 4095.0*(compC*pwC/pwC1);
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*dfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4295 )
{ printf("increase pwClvl"); psg_abort(1);}
if(( rf2 < 4296 ) && (rf2>4095)) rf2=4095;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118m away */
pwC7 = getval("pwC7");
rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 128.0*ppm; ofs = bw;
offC1 = pbox_Rcal("square90n", bw, compC*pwC, pwClvl);
offC2 = pbox_Rcal("square180n", bw, compC*pwC, pwClvl);
bw = 118.0*ppm;
offC7 = pbox_make("offC7", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC1 = offC1.pw; rf1 = offC1.pwrf;
pwC2 = offC2.pw; rf2 = offC2.pwrf;
pwC7 = offC7.pw; rf7 = offC7.pwrf;
/* Example of semi-automatic calibration - use parameters, if they exist :
if ((autocal[0] == 's') || (autocal[1] == 's'))
{
if (find("pwC1") > 0) pwC1 = getval("pwC1");
if (find("rf1") > 0) rf1 = getval("rf1");
}
*/
}
/* power level and pulse times for DIPSI 1H decoupling */
DIPSI2time = 2.0*zeta + 2.0*timeTN - 5.4e-3 + pwC1 + 5.0*pwN + gt3 + 5.0e-5 + 2.0*GRADIENT_DELAY + 3.0*POWER_DELAY;
pwH=1.0/(4.0*waltzB1);
ncyc_dec = (DIPSI2time*90.0)/(pwH*2590.0*4.0);
ncyc_dec = (int) (ncyc_dec +0.5);
pwH = (DIPSI2time*90.0)/(ncyc_dec*2590.0*4.0); /* adjust pwH */
tpwr1 = 4095.0*(compH*pw/pwH);
tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni*1/(sw1) > timeAB - gt4 - WFG_START_DELAY - pwC7 )
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeAB - gt4 - WFG_START_DELAY - pwC7)*2.0*sw1))); psg_abort(1);}
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
if (PRexp)
{
if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);}
}
else
{
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Set up f1180 */
if(PRexp) /* set up Projection-Reconstruction experiment */
tau1 = d2*csa;
else
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
if(PRexp)
tau2 = d2*sna;
else
{
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
decphase(zero);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(one);
decphase(t3);
zgradpulse(gzlvl0, gt0);
delay(tauCH - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
gt4=0.0; /* no gradients during 2H decoupling */
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
decrgpulse(pwC, t3, 0.0, 0.0);
/* point a */
txphase(zero);
decphase(zero);
decpwrf(rf7);
delay(tau1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf2);
if ( pwC7 > 2.0*pwN)
{delay(timeCH - pwC7 - gt4 - WFG3_START_DELAY - 2.0*pw);}
else
{delay(timeCH - 2.0*pwN - gt4 - WFG3_START_DELAY - 2.0*pw);}
rgpulse(2.0*pw,zero,0.0,0.0);
delay(timeAB - timeCH);
decrgpulse(pwC2, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
decpwrf(rf7);
delay(timeAB - tau1 - gt4 - WFG_START_DELAY - pwC7 - 2.0e-6);
/* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
decpwrf(rf1); /* point b */
decrgpulse(pwC1, zero, 2.0e-6, 0.0);
obspwrf(tpwr1); obspower(tpwr-6); /* POWER_DELAY */
obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */
xmtron();
/* point c */
dec2phase(zero);
decpwrf(rf2);
delay(zeta - POWER_DELAY - PRG_START_DELAY);
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
decpwrf(rf1);
dec2phase(t8);
delay(zeta);
/* point d */
decrgpulse(pwC1, zero, 0.0, 0.0);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl3, gt3);
if (TROSY[A]=='y') { xmtroff(); obsprgoff(); }
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
/* point e */
decpwrf(rf2);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf7);
if (TROSY[A]=='y')
{
if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
txphase(t4);
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
txphase(t4);
delay(timeTN -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > (kappa - pwC7 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(kappa -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa - tau2 - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
txphase(t4);
delay(kappa-tau2-pwC7-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0);
delay(tau2);
}
} /* point f */
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char coshape[MAXSTR], /* dec pattern for CO decoupling */
fhfdwt1[MAXSTR], /* Flag to indicate half dwell start in t1 */
fhfdwt2[MAXSTR]; /* Flag to indicate half dwell start in t2 */
int
satmove;
double tauhc, /* 1 / 4*J[13C-H] [~1.5ms] */
tau1, /* t1-evolution variable */
tau2, /* t2-evolutionvariable */
pwca, /* PW90 for 13C nucleus */
pwco, /* PW90 for 13C carbonyl decoupling */
pwcalvl, /* power level for 13C pulses on dec1 */
pwcolvl, /* power level for C=O decoupling pulse */
jch, /* coupling for C-C (set to 40 Hz ) */
ncyc, /* # cycles through dipsi loop */
trim, /* trim pulse length(sec) */
dipsipwr, /* power level for 13C spin lock */
delta1,delta2;
/* LOAD VARIABLES */
dipsipwr = getval("dipsipwr");
ncyc = getval("ncyc");
trim = getval("trim");
sw1 = getval("sw1");
sw2 = getval("sw2");
pwca = getval("pwca");
pwco = getval("pwco");
pwcalvl = getval("pwcalvl");
pwcolvl = getval("pwcolvl");
jch = getval("jch"); /* Use 152 [overestimate; true J ~140 ] */
getstr("coshape",coshape);
getstr("fhfdwt1",fhfdwt1);
getstr("fhfdwt2",fhfdwt2);
/* calculate delays */
tauhc = (1.0/(4*jch));
delta1 = (1.0/(6.0*jch));
delta2 = (delta1);
satmove = (fabs(tof - satfrq) >= 0.2);
/* CHECK VALIDITY OF PARAMETER RANGE */
if((dm[A] != 'n') || (dm[B] != 'n'))
{
printf("dm should be 'nnn' or 'nny' ");
psg_abort(1);
}
if((dm2[A] != 'n') || (dm2[B] != 'n') || (dm2[C] != 'n'))
{
printf("dm2 should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 20 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( pwcolvl > 60 )
{
printf("DCOPWR too large!");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DCPWR too large! ");
psg_abort(1);
}
if(( pwca > 2.5e-5 || pw > 2.5e-5 ))
{
printf("Pulsewidths [pw, pwca] must be shorter than 25 us. Abort.");
psg_abort(1);
}
if ( pwco > 2.0e-3 )
{
printf("PWCO must be less than 2 ms. Abort.");
psg_abort(1);
}
if ( ncyc*217.33*p1 > 0.03)
{
printf("mixing time must be < 30ms! Abort.");
psg_abort(1);
}
if (ncyc > 4)
{
printf("ncyc should be no greater than 4. Abort.");
psg_abort(1);
}
/* INITIALIZE VARIABLES */
if(fhfdwt1[0] == 'y')
tau1 = (d2 + 1/(2*sw1) );
else
tau1 = d2;
if(fhfdwt2[0] == 'y')
tau2 = (d3 + 1/(2*sw2));
else
tau2 = d3;
initval(ncyc,v7); /* v7 is the dipsi loop counter */
settable(t21,1,psi1);
settable(t11,2,phi1);
settable(t12,1,phi2);
settable(t13,1,phi3);
settable(t14,1,phi4);
settable(t15,8,phi5);
settable(t16,8,phi6);
settable(t10,8,rec);
/* Phase table:
phi1 = t11 = 0 1
phi2 = t12 = 0
phi3 = t13 = 0 0 0 0 0 0 0 0
phi3'= t14 = 1 1 1 1 1 1 1 1
phi5 = t15 = 0 0 1 1 2 2 3 3
phi6 = t16 = 0 0 0 0 2 2 2 2
THESE TO BE SOFTWARE-MODIFIED BASED ON t1, t2 VALUES:
rec = t10 = 0 2 2 0 0 2 2 0
psi1 = t21 = 0
psi2 = t22 = 0
*/
if(phase1==2) tsadd(t21,1,4);
if(phase2==2) tsadd(t12,1,4);
if(d2_index%2)
{
tsadd(t21,2,4);
tsadd(t10,2,4);
}
if(d3_index%2)
{
tsadd(t12,2,4);
tsadd(t10,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
if (satmode[A] == 'y')
{
if(satmove)
obsoffset(satfrq);
obspower(satpwr);
rgpulse(d1,zero,rof1,rof1);
if(satmove)
obsoffset(tof);
}
else
{
delay(d1);
}
rcvroff();
decphase(t13);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
decpower(pwcalvl);
status(B);
rgpulse(pw,t21,1.0e-5,0.0); /* First 1H 90 degree pulse */
txphase(t11);
if(tau1 < (2*pwca + pw)) /* first t1-value */
{
delay(tauhc - 2*pwca - 1.0e-6); /* assuming pwca > pw */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
simpulse(2*pw, 2*pwca,t11, t14, 1.0e-6, 0.0);
decrgpulse(pwca,t13,1.0e-6,0.0); /* 13C composite 180 deg pulse */
txphase(one);
decphase(t12);
delay(tauhc - 2*pwca - 1.0e-6); /* assuming pwca > pw */
}
else
{
delay(tauhc + tau1/2 - 2*pwca -1.0e-6); /* t1-evol. plus pol. trans. */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
decrgpulse(2*pwca,t14,1.0e-6,0.0); /* 13C composite 180 deg pulse */
decrgpulse(pwca,t13,0.0,0.0); /* 13C composite 180 deg pulse */
delay(tau1/2 - 2*pwca - pw); /* continued t1-evol. */
rgpulse(2*pw,t11,0.0,0.0); /* proton echo pulse */
txphase(one);
decphase(t12);
delay(tauhc - pw);
}
simpulse(pw,pwca,one,t12,1.0e-6,0.2e-6);
decphase(zero);
decpower(pwcolvl);
if(tau2/2 > POWER_DELAY)
delay(tau2/2 - POWER_DELAY); /* t2 evolution */
else
delay(tau2/2);
decshaped_pulse(coshape,pwco,zero,0.0,0.0);
decpower(pwcalvl);
delay(delta1 - pwco - POWER_DELAY - WFG_START_DELAY - WFG_STOP_DELAY - pw);
rgpulse(2*pw,zero,0.0,0.0);
if (tau2/2 > (pw + pwca))
delay(tau2/2 - pw -pwca); /* t2 evolution */
else
delay(tau2/2);
decrgpulse(2*pwca,t15,0.0,0.0);
decphase(t16);
decpower(dipsipwr);
delay(delta1 - pwca - POWER_DELAY);
if (ncyc>0.0)
{
decrgpulse(trim,t16,0.0,0.0);
starthardloop(v7);
dipsi3a(); dipsi3b(); dipsi3b(); dipsi3a();
endhardloop();
}
txphase(zero); decphase(zero);
decpower(pwcalvl);
delay(delta2 - POWER_DELAY - pwca);
simpulse(2*pw,2*pwca,zero,zero,0.0,0.0);
txphase(t13);
delay(delta2);
/* start reversed INEPT */
simpulse(pw,pwca,t13,zero,0.0,0.0);
decphase(zero);
txphase(zero);
delay(tauhc - 2*pwca - 1.0e-6); /* delay = 1/4J */
decrgpulse(pwca,zero,0.0,0.0);
simpulse(2*pw,2*pwca,zero,one,1.0e-6,0.0);
decrgpulse(pwca,zero,1.0e-6,rof2);
delay(tauhc - 2*pwca - 1.0e-6 - rof2); /* delay = 1/4J */
decrgpulse(pwca,zero,0.0,0.0); /* Filter out IySz terms */
decrgpulse(pwca,t16,1.0e-6,0.0);
decpower(dpwr); /* Set power for decoupling */
/* BEGIN ACQUISITION */
setreceiver(t10);
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 */
c180_flg[MAXSTR],
codecseq[MAXSTR],
mess_flg[MAXSTR],
ch_shp1[MAXSTR], /* shape for the 1st purge CHIRP */
ch_shp2[MAXSTR], /* shape for the 2nd purge CHIRP */
chshpi[MAXSTR]; /* shape for the INEPT CHIRPs */
int phase, phase2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
ni2,
mix, /* mixing time in seconds */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcodec, /* PW for C' nucleus @ dpwrco seduce dec */
tsatpwr, /* low level 1H trans.power for presat */
pwClvl, /* power level for 13C pulses on dec1 */
dpwrco, /* power level for C' seduce decoupling */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
dressed, /* decoupler resolution for seduce decoupling */
tpwrmess, /* power level for Messerlie purge */
dly_pg1, /* duration of first part of purge */
dly_wt,
taua1, /* Delay for the first purge CHIRP */
taua2, /* Delay for the second purge CHIRP */
pwchirp1, /* duration of the 1st purge CHIRP */
pwchirp2, /* duration of the 2nd purge CHIRP */
d_me1, /* time difference between
start of the sweep and the
excitation of the methyl region
automatically calculated by the program
necessary parameter diff (see below) */
d_me2, /* time difference between
start of the sweep and the
excitation of the methyl region
automatically calculated by the program
necessary parameter diff (see below) */
dchrp1, /* power for the 1st purge CHIRP pulse, only lower
limit is important (see above!) */
dchrp2, /* power for the 2nd purge CHIRP pulse, only lower
limit is important (see above!) */
dmfchp1, /* dmf (1/90) for the 1st purge CHIRP pulse
dmfchp1 = 1/time_step of chirp-pulse
[time_step = pwchirp1/no. of points in
the .DEC-shape] */
dmfchp2, /* dmf (1/90) for the 1st purge CHIRP pulse
dmfchp2 = 1/time_step of chirp-pulse
[time_step = pwchirp2/no. of points in
the .DEC-shape] */
dres_chp, /* dres for the chirp pulse
(must be set to 90, otherwise
timing errors! ) */
diff1, /* shift differences between
methyl region and start of sweep */
diff2, /* shift differences between
methyl region and start of sweep */
rate1, /* sweep rate of the 1st purge CHIRP pulse
frequency sweep/pwchirp1 */
rate2, /* sweep rate of the 2nd purge CHIRP pulse
frequency sweep/pwchirp2 */
dchrpi,
dmfchpi,
pwchirpi, /* INEPT CHIRP duration */
ratei,
diffi,
tauf,
d_mei,
compC, /* C-13 RF calibration parameters */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt8,
gt9,
gt10,
gt11,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("c180_flg",c180_flg);
getstr("mess_flg",mess_flg);
tofps = getval("tofps");
mix = getval("mix");
pwC = getval("pwC");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
pwClvl = getval("pwClvl");
dpwr = getval("dpwr");
dpwr2 = getval("dpwr2");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
tpwrmess = getval("tpwrmess");
dly_pg1 = getval("dly_pg1");
dly_wt = getval("dly_wt");
taua1 = getval("taua1");
taua2 = getval("taua2");
rate1 = getval("rate1");
rate2 = getval("rate2");
diff1 = getval("diff1");
diff2 = getval("diff2");
diffi = getval("diffi");
ratei = getval("ratei");
tauf = getval("tauf");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
if(autocal[0]=='n')
{
getstr("codecseq",codecseq);
dressed = getval("dressed");
pwcodec = getval("pwcodec");
dpwrco = getval("dpwrco");
getstr("ch_shp1",ch_shp1);
getstr("ch_shp2",ch_shp2);
pwchirp1 = getval("pwchirp1");
pwchirp2 = getval("pwchirp2");
dchrp1 = getval("dchrp1");
dchrp2 = getval("dchrp2");
dmfchp1 = getval("dmfchp1");
dmfchp2 = getval("dmfchp2");
dres_chp = getval("dres_chp");
getstr("chshpi",chshpi);
dchrpi = getval("dchrpi");
dmfchpi = getval("dmfchpi");
pwchirpi = getval("pwchirpi");
}
else
{
strcpy(codecseq,"Psed_108p");
strcpy(ch_shp1,"Pwurst180_1");
strcpy(ch_shp2,"Pwurst180_2");
strcpy(chshpi,"Pwurst180i");
if (FIRST_FID)
{
compC = getval("compC");
codec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwC, pwClvl);
chirp1 = pbox(ch_shp1, CHIRP1, CHIRPps, dfrq, compC*pwC, pwClvl);
chirp2 = pbox(ch_shp2, CHIRP2, CHIRPps, dfrq, compC*pwC, pwClvl);
chirpi = pbox(chshpi, CHIRPi, CHIRPps, dfrq, compC*pwC, pwClvl);
}
dpwrco = codec.pwr; pwcodec = 1.0/codec.dmf; dressed = codec.dres;
dchrp1 = chirp1.pwr; dmfchp1 = chirp1.dmf;
pwchirp1 = chirp1.pw; dres_chp = chirp1.dres;
dchrp2 = chirp1.pwr; dmfchp2 = chirp2.dmf;
pwchirp2 = chirp2.pw;
dchrpi = chirpi.pwr; dmfchpi = chirpi.dmf;
pwchirpi = chirpi.pw;
}
/* LOAD PHASE TABLE */
settable(t1,8,phi1);
settable(t2,16,phi2);
settable(t4,16,rec);
settable(t5,4,phi5);
settable(t6,2,phi6);
settable(t7,4,phi7);
/* CHECK VALIDITY OF PARAMETER RANGES */
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! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwrco > 50 )
{
printf("don't fry the probe, dpwrco too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
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( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcodec < 300.0e-6 )
{
printf("dont fry the probe, pwcodec too high ! ");
psg_abort(1);
}
if ( tpwrmess > 56 )
{
printf("dont fry the probe, tpwrmess too high ! ");
psg_abort(1);
}
if ( dly_pg1 > 0.010)
{
printf("dont fry the probe, dly_pg1 too long ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3
|| gt3 > 15e-3 || gt4 > 15e-3
|| gt5 > 15e-3
|| gt8 > 15e-3
|| gt9 > 15e-3 || gt10 > 15e-3 || gt11 > 15e-3 )
{
printf("gti values < 15e-3\n");
psg_abort(1);
}
if( gzlvl3*gzlvl4 > 0.0 )
{
printf("gt3 and gt4 must be of opposite sign \n");
printf("for optimal water suppression\n");
psg_abort(1);
}
if( dchrp1 > 60 )
{
printf("don't fry the probe, dchrp1 too large! ");
psg_abort(1);
}
if( dchrp2 > 60 )
{
printf("don't fry the probe, dchrp2 too large! ");
psg_abort(1);
}
if( pwchirp1 > 10.e-03 )
{
printf("don't fry the probe, pwchirp1 too large! ");
psg_abort(1);
}
if( pwchirp2 > 10.e-03 )
{
printf("don't fry the probe, pwchirp2 too large! ");
psg_abort(1);
}
d_me1 = diff1/rate1 ;
d_me2 = diff2/rate2 ;
if( d_me1 > 10.e-03 )
{
printf("don't fry the probe, d_me1 too large \n");
printf(" (must be less than 10 msec)! ");
psg_abort(1);
}
if( d_me2 > 10.e-03 )
{
printf("don't fry the probe, d_me2 too large \n");
printf(" (must be less than 10 msec)! ");
psg_abort(1);
}
if( d_me1 > pwchirp1 )
{
printf("impossible; d_me1 > pwchirp1 ! ");
psg_abort(1);
}
if( d_me2 > pwchirp2 )
{
printf("impossible; d_me2 > pwchirp2 ! ");
psg_abort(1);
}
if( dchrpi > 60 )
{
printf("dont fry the probe, dchrpi too large\n");
psg_abort(1);
}
if(pwchirpi > 10.0e-3)
{
printf("don't fry the probe, pwchirpi too large! ");
psg_abort(1);
}
d_mei = diffi/ratei;
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t1,1,4);
if (phase2 == 2)
tsadd(t2,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) - 4.0/PI*pw - 2.0e-6 );
}
else
tau1 = tau1 - 4.0/PI*pw - 2.0e-6;
if(tau1 < 0.2e-6) tau1 = 2.0e-7;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - (4.0/PI)*pwC
- 2.0*pw - PRG_START_DELAY - PRG_STOP_DELAY
- 2.0*POWER_DELAY - 4.0e-6);
}
else tau2 = tau2 - ((4.0/PI)*pwC + 2.0*pw
+ PRG_START_DELAY + PRG_STOP_DELAY
+ 2.0*POWER_DELAY + 4.0e-6);
if(tau2 < 0.2e-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(t4,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t2,2,4);
tsadd(t4,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(5.0e-6);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
delay(5.0e-6);
/* Presaturation Period */
if (mess_flg[A] == 'y') {
obsoffset(tofps);
obspower(tpwrmess);
txphase(zero);
rgpulse(dly_pg1,zero,2.0e-6,2.0e-6);
txphase(one);
rgpulse(dly_pg1/1.62,one,2.0e-6,2.0e-6);
obspower(tsatpwr);
}
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
decphase(zero);
/* Begin Pulses */
status(B);
rcvroff();
delay(10.0e-6);
rgpulse(pw,t6,4.0e-6,0.0); /* 90 deg 1H pulse */
txphase(zero); decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(gstab);
delay(taua1 - gt8 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6
- PRG_START_DELAY - d_me1);
/* 1st purge CHIRP inversion on */
decpower(dchrp1); /* Set power for 1st purge CHIRP inversion */
delay(4.0e-6);
decprgon(ch_shp1,1.0/dmfchp1,dres_chp);
decon();
delay(d_me1);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirp1 - d_me1 - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(gstab);
delay(taua1 + 2*pw - (pwchirp1 - d_me1)
- PRG_STOP_DELAY - gt8 - gstab -2.0e-6);
rgpulse(pw,zero,0.0,0.0);
txphase(t7);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(2.0*gstab);
rgpulse(pw,t7,0.0,0.0); /* PHASE t7 = 2(x),2(-x)*/
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
decphase(zero); txphase(zero);
delay(taua2 - gt11 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - PRG_START_DELAY - d_me2);
/* Second chirp inversion on */
decpower(dchrp2); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(ch_shp2,1.0/dmfchp2,dres_chp);
decon();
delay(d_me2);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirp2 - d_me2 - 2*pw);
decoff();
decprgoff();
/* Second purge CHIRP off */
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
txphase(zero);
delay(taua2 + 2*pw - (pwchirp2 - d_me2)
- PRG_STOP_DELAY - gt11 - gstab -2.0e-6 );
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(2.0*gstab);
rgpulse(pw,t1,4.0e-6,0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
delay(mix - 10.0e-3);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
decpower(pwClvl); /* Set power for hard pulses */
delay(4.0e-6);
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
decphase(zero);
delay(10.0e-3 - gt1 - gt0 - 8.0e-6);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decphase(zero);
delay(tauf - gt2 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6
- PRG_START_DELAY - d_mei);
/* INEPT CHIRP inversion on */
decpower(dchrpi); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(chshpi,1.0/dmfchpi,dres_chp);
decon();
delay(d_mei);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirpi - d_mei - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
txphase(one);
delay(tauf + 2*pw - (pwchirpi - d_mei)
- PRG_STOP_DELAY - gt2 - gstab -2.0e-6 );
rgpulse(pw,one,0.0,0.0);
txphase(zero); decphase(t2);
decpower(pwClvl); /* Set power for C13 hard pulse */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
if( c180_flg[A] == 'n' ) {
delay(2.0e-6);
/* CO decoupling on */
decpower(dpwrco);
decprgon(codecseq,pwcodec,dressed);
decon();
/* CO decoupling on */
delay(tau2);
rgpulse(2*pw,zero,0.0,0.0);
delay(tau2);
/* CO decoupling off */
decoff();
decprgoff();
decpower(pwClvl);
/* CO decoupling off */
delay(2.0e-6);
}
else
simpulse(2*pw,2*pwC,zero,zero,2.0e-6,2.0e-6);
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
rgpulse(pw,t5,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decphase(zero);
delay(tauf - gt5 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - PRG_START_DELAY - d_mei);
/* 2nd INEPT CHIRP inversion on */
decpower(dchrpi); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(chshpi,1.0/dmfchpi,dres_chp);
decon();
delay(d_mei);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirpi - d_mei - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decpower(dpwr); /* Set power for decoupling */
txphase(t5);
delay(tauf + 2*pw - (pwchirpi - d_mei) - PRG_STOP_DELAY
- gt5 - gstab -2.0e-6 - 2*POWER_DELAY);
rgpulse(pw,t5,0.0,0.0);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t4);
}
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 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 */
codecseq[MAXSTR],
ddseq[MAXSTR],
shca180[MAXSTR],
shca90[MAXSTR];
int phase, ni,
t1_counter, /* used for states tppi in t1 */
tau2;
double tau1, /* t1 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
taub, /* ~ 1/2JCH for AX spin systems */
taud, /* ~ 1/4JCD 12.5 ms for AX spin system */
TC, /* carbon constant time period 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
time_T2, /* total relaxation time for T2 measurement */
pwcodec, /* pw90 for C' decoupling */
dressed, /* = 2 for seduce-1 decoupling */
dpwrsed,
pwd, /* pulse width for D decoupling at dpwr3_D */
dresD,
dpwr3_D,
lk_wait, /* delay for lk receiver recovery */
pwd1, /* pulse width for D +/- pulses at dpwr3 */
d_ca180,
pwca180,
pwca90, /* ca selective pulse at 57.5 ppm */
d_ca90, /* power level for pwca90 */
dpwr3_sl, /* D power level for spin locking */
pwd_sl, /* pw for D at dpwr3_sl */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab=getval("gstab"),
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("codecseq",codecseq);
getstr("ddseq",ddseq);
getstr("shca180",shca180);
getstr("shca90",shca90);
taua = getval("taua");
taub = getval("taub");
taud = getval("taud");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
pwcodec = getval("pwcodec");
dressed = getval("dressed");
dpwrsed = getval("dpwrsed");
pwd = getval("pwd");
dresD = getval("dresD");
dpwr3_D = getval("dpwr3_D");
lk_wait = getval("lk_wait");
pwd1 = getval("pwd1");
d_ca180 = getval("d_ca180");
pwca180 = getval("pwca180");
pwca90 = getval("pwca90");
d_ca90 = getval("d_ca90");
dpwr3_sl = getval("dpwr3_sl");
pwd_sl = getval("pwd_sl");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
/* LOAD PHASE TABLE */
settable(t1,16,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,4,phi4);
settable(t6,4,phi6);
settable(t7,8,phi7);
settable(t5,16,rec_d);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( TC - 0.50*(ni-1)*1/(sw1) - WFG_STOP_DELAY
- gt6 - 102e-6 - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY
- 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY - PRG_STOP_DELAY
- 2.0e-6 - POWER_DELAY - 2.0e-6
< 0.2e-6 )
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3
|| gt8 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if(dpwr3_D > 54)
{
printf("D decoupling power is too high\n");
psg_abort(1);
}
if(lk_wait > .015 )
{
printf("lk_wait delay may be too long\n");
psg_abort(1);
}
/* change back to 48 */
if(dpwr3_sl > 53) {
printf("dpwr3_sl is too large; must be less than 53\n");
psg_abort(1);
}
/* change back to 250 */
if(pwd_sl < 170.0e-6) {
printf("pwd_sl is too large; Must be larger than 170 us\n");
psg_abort(1);
}
/* Calculation of IzCzDz relaxation delay */
tau2 = (int) (d3+0.1);
time_T2 = z_array[tau2];
if(time_T2 > 0.030) {
printf("time_T2 is too long; Must be less than 30 ms\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t7,1,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t7,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
/* Prepare for signs of gradients 0 1 0 1 0 1 */
mod2(ct,v1);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
txphase(one); decphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
decrgpulse(pwc,t1,2.0e-6,0.0);
decphase(zero);
delay(taub - 2.0*pw - 2.0e-6);
rgpulse(pw,zero,0.0,0.0);
rgpulse(pw,t2,2.0e-6,0.0);
delay(TC - taub
- gt4 - 102e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
initval(1.0,v3);
decstepsize(353.0);
dcplrphase(v3);
decpower(d_ca180);
decshaped_pulse(shca180,pwca180,zero,4.0e-6,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud - WFG_STOP_DELAY - gt4 - 102e-6
- POWER_DELAY - 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
decphase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
delay(taud - PRG_STOP_DELAY -POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- WFG_START_DELAY - pwca90 - 4.0e-6
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decpower(d_ca90);
decshaped_pulse(shca90,pwca90,t3,4.0e-6,0.0);
decpower(dhpwr);
decrgpulse(pwc,one,4.0e-6,0.0);
/* T2 period */
dec3power(dpwr3);
dec3rgpulse(pwd1,t4,2.0e-6,0.0);
dec3phase(one);
dec3power(dpwr3_sl);
dec3rgpulse(time_T2,one,2.0e-6,2.0e-7);
dec3phase(zero);
dec3power(dpwr3);
dec3rgpulse(pwd1,zero,2.0e-6,0.0);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl5,gt5);
delay(gstab);
endif(v1);
decphase(zero);
decrgpulse(pwc,t7,4.0e-6,0.0);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
if(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6 >= tau1) {
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6
- tau1);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud + tau1 - POWER_DELAY
- PRG_START_DELAY - 2.0*pw
- POWER_DELAY - pwd1 - 4.0e-6 - POWER_DELAY - PRG_START_DELAY
- 3.0*POWER_DELAY - 2.0*PRG_START_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY
- POWER_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
else {
delay(taud);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(tau1 - taud - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY - PRG_START_DELAY);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(TC
- 2.0*pw - PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- PRG_STOP_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
initval(1.0,v4);
decstepsize(353.0);
dcplrphase(v4);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - tau1 - WFG_STOP_DELAY - gt6
- 102e-6 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6);
/* C' decoupling off */
decoff();
decprgoff();
decpower(dhpwr);
/* C' decoupling off */
decrgpulse(pwc,one,4.0e-6,0.0);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl7,gt7);
delay(gstab);
endif(v1);
delay(lk_wait); /* delay for lk receiver recovery */
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
decphase(zero);
delay(taua - gt8 - 4.0e-6);
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
delay(taua - 2*POWER_DELAY - gt8 - 4.0e-6);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,rof2);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
double 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 */
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()
{
/* 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()
{
double gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
slpwT = getval("slpwT"),
slpwrT = getval("slpwrT"),
trim = getval("trim"),
mixT = getval("mixT"),
mult = getval("mult"),
tau,
gtau;
int icosel,
phase1 = (int)(getval("phase")+0.5);
char slpatT[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",0.5);
gzlvlE = syncGradLvl("gtE","gzlvlE",0.5);
getstr("slpatT",slpatT);
if (strcmp(slpatT,"mlev17c") &&
strcmp(slpatT,"dipsi2") &&
strcmp(slpatT,"dipsi3") &&
strcmp(slpatT,"mlev17") &&
strcmp(slpatT,"mlev16"))
abort_message("SpinLock pattern %s not supported!.\n", slpatT);
tau = 1/(4*(getval("j1xh")));
gtau = 2*gstab + 2*GRADIENT_DELAY;
icosel = 1;
settable(t1,2,ph1);
settable(t2,4,ph2);
settable(t3,4,ph3);
assign(zero,v6);
getelem(t1,ct,v1);
getelem(t3,ct,oph);
assign(two,v3);
sub(v3,one,v2);
add(v3,one,v4);
add(v3,two,v5);
/*
mod2(id2,v14);
dbl(v14,v14);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
add(v1,v14,v1);
add(v6,v14,v6);
add(oph,v14,oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,zero,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(pwxlvl);
status(B);
if (getflag("nullflg"))
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2.0*pw,2.0*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
rgpulse(pw,zero,rof1,rof1);
delay(2*tau - 2*rof1 - (2*pw/PI));
decrgpulse(pwx,v1,rof1,1.0e-6);
delay(gtE/2.0+gtau - (2*pwx/PI) - pwx - 1.0e-6 - rof1);
decrgpulse(2*pwx,v6,rof1,1.0e-6);
delay(gstab - pwx - 1.0e-6);
zgradpulse(gzlvlE,gtE/2.0);
delay(gstab - rof1 - pw);
delay(d2/2);
rgpulse(2.0*pw,zero,rof1,rof1);
delay(d2/2);
delay(gstab - rof1 - pw);
zgradpulse(gzlvlE,gtE/2.0);
delay(gstab - pwx - rof1);
decrgpulse(2*pwx,zero,rof1,1.0e-6);
delay(gtE/2.0+gtau - (2*pwx/PI) - pwx - 1.0e-6 - rof1);
decrgpulse(pwx,t2,rof1,rof1);
delay(2*tau - rof1 - POWER_DELAY);
obspower(slpwrT);
if (mixT > 0.0)
{
rgpulse(trim,v5,0.0,0.0);
if (dps_flag)
rgpulse(mixT,v3,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v2,v3,v4,v5,v9);
}
obspower(tpwr);
if (mult > 0.5)
delay(2*tau - rof1);
else
delay(gtE/2 + gstab + 2*GRADIENT_DELAY - rof1);
simpulse(2*pw,mult*pwx,one,zero,rof1,rof2);
decpower(dpwr);
zgradpulse(icosel*2*gzlvlE/EDratio,gtE/2.0);
if (mult > 0.5)
delay(2*tau - gtE/2 - 2*GRADIENT_DELAY);
else
delay(gstab);
status(C);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
H2Opurge[MAXSTR], stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
tau2, /* t2 delay */
ni = getval("ni"), ni2 = getval("ni2"),
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
taua = getval("taua"), /* time delays for CH coupling evolution */
taub = getval("taub"), tauc = getval("tauc"),
/* string parameter stCdec calls stud decoupling waveform from your shapelib. */
studlvl, /* coarse power for STUD+ decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* p_d is used to calculate the isotropic mixing on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for 9.0 kHz rf at 600MHz */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
spinlock = getval("spinlock"), /* DIPSI-3 Field Strength in Hz */
/* the following pulse length for the SLP pulse is automatically calculated */
/* by the macro "hcch_tocsy". The SLP pulse shape,"offC10" is called */
/* directly from your shapelib. */
pwC10 = getval("pwC10"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC10 ("offC10") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"), sw2 = getval("sw2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"),
gt7 = getval("gt7"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7");
getstr("f1180", f1180);
getstr("f2180", f2180);
getstr("H2Opurge", H2Opurge);
getstr("STUD", STUD);
/* 80 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec80");
studlvl = pwClvl + 20.0 * log10(compC * pwC * 4.0 * rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3, 2, phi3);
settable(t5, 4, phi5);
settable(t9, 8, phi9);
settable(t11, 8, rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if (dpwrf < 4095)
{
printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1);
}
if ((pwC > (25.0e-6 * 600.0 / sfrq)) && (ncyc > 0.0))
{
printf("Increase pwClvl so that pwC < 25*600/sfrq");
psg_abort(1);
}
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
rf7 = (compC * 4095.0 * pwC * 2.0 * 1.65) / pwC10; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
if (spinlock < 1000.0)
{
printf("Spinlock seems too low. Please check spinlock value ! ");
psg_abort(1);
}
/* dipsi-3 spinlock on CbCa */
p_d = (5.0) / (9.0 * 4.0 * spinlock); /* DIPSI-3 */
rfd = (compC * 4095.0 * pwC * 5.0) / (p_d * 9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/*************************For Ultra-High Field Probes***************************/
if (sfrq>590.0)
{
if (ncyc>2)
{
if (pwC>15)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 2)
{
if (pwC>15)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 1)
{
if (pwC>15)
{
if (rfd > 2400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
}
}
}
/*********************End: For Ultra-High Field Probes***************************/
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if ((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);
}
if (dpwr > 52)
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if (pw > 80.0e-6)
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if (pwN > 100.0e-6)
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t3, 1, 4);
if (phase2 == 2)
tsadd(t5, 1, 4);
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if (f1180[A] == 'y')
{
tau1 += (1.0 / (2.0 * sw1));
if (tau1 < 0.2e-6)
tau1 = 0.0;
}
tau1 = tau1 / 2.0;
/* Set up f2180 */
tau2 = d3;
if (f2180[A] == 'y')
{
tau2 += (1.0 / (2.0 * sw2));
if (tau2 < 0.2e-6)
tau2 = 0.0;
}
tau2 = tau2 / 2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if (ix == 1)
d2_init = d2;
t1_counter = (int) ((d2 - d2_init) * sw1 + 0.5);
if (t1_counter % 2)
{
tsadd(t3, 2, 4);
tsadd(t11, 2, 4);
}
if (ix == 1)
d3_init = d3;
t2_counter = (int) ((d3 - d3_init) * sw2 + 0.5);
if (t2_counter % 2)
{
tsadd(t5, 2, 4);
tsadd(t11, 2, 4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B] == 'y')
lk_sample();
if ((ni / sw1 - d2) > 0)
delay(ni / sw1 - d2); /*decreases as t1 increases for const.heating */
if ((ni2 / sw2 - d3) > 0)
delay(ni2 / sw2 - d3); /*decreases as t2 increases for const.heating */
delay(d1);
if (dm3[B] == 'y')
{
lk_hold();
lk_sampling_off();
} /*freezes z0 correction, stops lock pulsing */
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization */
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7 * gzlvl0, 0.5e-3);
delay(5.0e-4);
if (dm3[B] == 'y') /* begins optional 2H decoupling */
{
dec3rgpulse(1 / dmf3, one, 10.0e-6, 2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taua + tau1 - gt0 - 2.0 * GRADIENT_DELAY - 2.0 * pwC);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
txphase(one);
decphase(t5);
delay(taua - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, t5, 0.0, 0.0);
delay(tau2);
dec2rgpulse(2.0 * pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
decpwrf(rf7);
delay(taub - 2.0 * pwN - gt4 - 2.0 * GRADIENT_DELAY);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
txphase(zero);
decpwrf(rf0);
delay(taub - 2.0 * pw);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
delay(tau2);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
decpwrf(rf7);
delay(taub);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(taub - gt4 - 2.0 * GRADIENT_DELAY);
decpwrf(rfd);
decrgpulse(1.0e-3, zero, 0.0, 0.0);
if (ncyc>0)
{
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
endhardloop();
}
decrgpulse(9.0 * p_d / 5.0, t9, 2.0e-6, 0.0);
if (H2Opurge[A] == 'y')
{
obspwrf(1000);
rgpulse(900 * pw, zero, 0.0, 0.0);
rgpulse(500 * pw, one, 0.0, 0.0);
obspwrf(4095.0);
}
zgradpulse(gzlvl7, gt7);
decpwrf(rf0);
delay(50.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl7, gt7 / 1.6);
decrgpulse(pwC, three, 100.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(tauc - gt5);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauc - gt5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
if (dm3[B] == 'y') /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1 / dmf3, three, 2.0e-6, 2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
delay(2.0e-4);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(taua - gt5 + rof1);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, rof1);
zgradpulse(gzlvl6, gt5);
if (STUD[A] == 'y')
decpower(studlvl);
else
decpower(dpwr);
dec2power(dpwr2);
delay(taua - gt5 - 2.0 * POWER_DELAY);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y')
lk_sample();
setreceiver(t11);
if ((STUD[A] == 'y') && (dm[C] == 'y'))
{
decprgon(stCdec, 1.0 / stdmf, 1.0);
decon();
if (dm2[C] == 'y')
{
setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2);
}
}
else
status(C);
}
void pulsesequence()
{
char c1d[MAXSTR]; /* option to record only 1D C13 spectrum */
int ncyc;
double tau1 = 0.002, /* t1 delay */
post_del = 0.0,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
compH = getval("compH"),
mixpwr = getval("mixpwr"),
jCH = getval("jCH"),
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
grec = getval("grec"),
phase = getval("phase");
getstr("c1d",c1d);
ncyc=1;
if(jCH > 0.0)
tau1 = 0.25/jCH;
dbl(ct, v1); /* v1 = 0 */
mod4(v1,oph);
hlv(ct,v2);
add(v2,v1,v2);
if (phase > 1.5)
incr(v1); /* hypercomplex phase increment */
initval(2.0*(double)((int)(d2*getval("sw1")+0.5)%2),v10);
add(v1,v10,v1);
add(oph,v10,oph);
mod4(v1,v1); mod4(v2,v2); mod4(oph,oph);
assign(zero,v3);
if(FIRST_FID)
{
HHmix = pbox_mix("HHmix", "DIPSI2", mixpwr, pw*compH, tpwr);
if(c1d[A] == 'n')
{
opx("CHdec"); setwave("WURST2 30k/1.2m"); pbox_par("steps","600"); cpx(pwC*compC, pwClvl);
CHdec = getDsh("CHdec");
}
}
ncyc = (int) (at/HHmix.pw) + 1;
post_del = ncyc*HHmix.pw - at;
/* BEGIN PULSE SEQUENCE */
status(A);
zgradpulse(gzlvl0, gt0);
rgpulse(pw, zero, 0.0, 0.0); /* destroy H-1 magnetization*/
zgradpulse(gzlvl0, gt0);
delay(1.0e-4);
obspower(tpwr);
txphase(v1);
decphase(zero);
dec2phase(zero);
presat();
obspower(tpwr);
delay(1.0e-5);
status(B);
if(c1d[A] == 'y')
{
rgpulse(pw,v1,0.0,0.0); /* 1H pulse excitation */
delay(d2);
rgpulse(pw,two,0.0,0.0); /* 1H pulse excitation */
assign(oph,v3);
}
else
{
decunblank(); pbox_decon(&CHdec);
rgpulse(pw,v1,0.0,0.0); /* 1H pulse excitation */
txphase(zero);
delay(d2);
pbox_decoff(); decblank();
decpower(pwClvl); decpwrf(4095.0);
delay(tau1 - POWER_DELAY);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(one); decphase(one); dec2phase(one);
delay(tau1);
simpulse(pw, pwC, one, one, 0.0, 0.0);
txphase(zero); decphase(zero); dec2phase(zero);
delay(tau1);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
delay(tau1);
simpulse(0.0, pwC, zero, zero, 0.0, 0.0);
}
zgradpulse(gzlvl1, gt1);
delay(grec);
simpulse(0.0, pwC, zero, v3, 0.0, rof2);
txphase(v2);
obsunblank(); pbox_xmtron(&HHmix);
status(C);
setactivercvrs("ny");
startacq(alfa);
acquire(np,1.0/sw);
endacq();
delay(post_del);
pbox_xmtroff(); obsblank();
zgradpulse(gzlvl2, gt2);
obspower(tpwr);
delay(grec);
rgpulse(pw,zero,0.0,rof2); /* 1H pulse excitation */
status(D);
setactivercvrs("yn");
startacq(alfa);
acquire(np,1.0/sw);
endacq();
}
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 */
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()
{
/* 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()
{
int t1_counter;
char CCLS[MAXSTR], /* C13 refocussing pulse in middle of t1 */
wtg3919[MAXSTR],
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
double timeCT=getval("timeCT"),
tauxh, tau1,
gzlvl3=getval("gzlvl3"),
gzlvl4=getval("gzlvl4"),
gt3=getval("gt3"),
gt4=getval("gt4"),
gstab=getval("gstab"), /* gradient recovery delay */
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
/* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"); /* C13 90 degree pulse length at pwClvl */
getstr("CCLS",CCLS);
getstr("wtg3919",wtg3919);
getstr("f1180",f1180);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
/* INITIALIZE VARIABLES */
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
}
if (wtg3919[0] != 'y')
{ pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; } /* 1dB correction applied */
}
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
/* 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;
/* LOAD PHASE TABLES */
assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 16, phi4);
settable(t5, 8, rec);
if ( phase1 == 2 ) tsadd(t2, 1, 4);
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl); decpwrf(4095.0);
delay(d1);
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
decphase(zero);
txphase(t4);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN, t2, rof1, rof1);
/* CT EVOLUTION BEGINS */
dec2phase(t3);
delay(timeCT -SAPS_DELAY -tau1);
if (CCLS[A]=='y')
{
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeCT -2.0*pw);
rgpulse(2.0*pw, t4, 0.0, 0.0);
}
else
{
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(timeCT -2.0*pwC);
simpulse(2.0*pw, 2.0*pwC, t4, zero, 0.0, 0.0);
}
delay(tau1);
/* CT EVOLUTION ENDS */
dec2rgpulse(pwN, t3, rof1, rof1);
zgradpulse(gzlvl3,gt3);
delay(gstab);
rgpulse(pw, two, rof1, rof1);
decrgpulse(pwC, zero, rof1, rof1);
zgradpulse(gzlvl4,gt4);
txphase(v7); dec2phase(zero);
delay(tauxh -gt4 -pwHs -rof1 -2.0*pwC -2.0*rof1);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl4,gt4);
delay(tauxh -gt4 -pwHs -rof1 -POWER_DELAY);
dec2power(dpwr2);
status(C);
setreceiver(t5);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic angle gradient*/
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
del = getval("del"), /* time delays for CH coupling evolution */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "biocal" */
/* and string parameter stCdec calls them from your shapelib. */
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* p_d is used to calculate the isotropic mixing on the Cab region */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field strength in Hz */
p_d, /* 50 degree pulse for DIPSI-2 at rfd */
rfd, /* fine power for 7 kHz rf for 500MHz magnet */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "ghcch_tocsy" . SLP pulse shapes, "offC10" etc are called */
/* directly from your shapelib. */
pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */
pwZ, /* the largest of pwC10 and 2.0*pwN */
rf10, /* fine power for the pwC10 ("offC10") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
strcpy(stCdec, "stCdec80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
pwC10 = getval("pwC10");
rf10 = (compC*4095.0*pwC*2.0*1.65)/pwC10; /* needs 1.65 times more */
rf10 = (int) (rf10 + 0.5); /* power than a square pulse */
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = 139.0*ppm;
offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if(dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rf10 = offC10.pwrf; pwC10 = offC10.pw;
}
/* dipsi-3 decoupling on CbCa */
p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 Field Strength */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 1.0e-4)
{
printf(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 1.0e-4));
psg_abort(1);
}
if( dm[A] == 'y' )
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! Should be 'nnn' or 'nyn' ");
psg_abort(1);
}
if( dpwr > 52 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if ( dm3[B] == 'y' )
lk_sample();
if ((ni/sw1-d2)>0)
delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/
if ((ni2/sw2-d3)>0)
delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(icosel1*gzcal*gzlvl1,0.1*gt1);
}
else
{
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
}
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rf10);
delay(tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC10", "", 2.0*pw, pwC10, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if(pwC10>2.0*pwN) pwZ=0.0; else pwZ=2.0*pwN - pwC10;
delay(tau2);
decpwrf(rf0);
if (mag_flg[A] == 'y')
{
magradpulse(-icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
}
delay(2.02e-4);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rf10);
if (mag_flg[A] == 'y')
{
magradpulse(icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
}
delay(2.0e-4 + WFG3_START_DELAY + pwZ);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
decpwrf(rf0);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
rcvron();
if ((STUD[A]=='n') && (dm[C] == 'y'))
decpower(dpwr);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(0.5*del-40.0e-6 -gt1 -1/dmf3);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
lk_sample();
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
else
{
delay(0.5*del-40.0e-6 -gt1);
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char 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 Cdseq[MAXSTR], refoc[MAXSTR], sspul[MAXSTR];
int mult = (0.5 + getval("mult"));
double rg1 = 2.0e-6,
j1xh = getval("j1xh"),
gt0 = getval("gt0"),
gzlvl0 = getval("gzlvl0"),
pp = getval("pp"),
pplvl = getval("pplvl"),
compH = getval("compH"),
Cdpwr = getval("Cdpwr"),
Cdres = getval("Cdres"),
tau1 = 0.002,
tau2 = 0.002,
Cdmf = getval("Cdmf");
shape hdx;
/* Get new variables from parameter table */
getstr("Cdseq", Cdseq);
getstr("refoc", refoc);
getstr("sspul", sspul);
if (j1xh < 1.0) j1xh = 150.0;
hdx = pboxHT_F1i("gaus180", pp*compH, pplvl); /* HADAMARD stuff */
if (getval("htcal1") > 0.5) /* Optional fine power calibration */
hdx.pwr = getval("htpwr1");
if(j1xh > 0.0)
tau1 = 0.25/j1xh;
tau2 = tau1;
if (mult > 2) tau2=tau1/2.5;
else if ((mult == 0) || (mult == 2)) tau2=tau1/2.0;
dbl(ct, v1); /* v1 = 02 */
add(two,v1,oph);
mod4(oph,oph); /* oph = 02 */
/* Calculate delays */
if (dm[0] == 'y')
{
abort_message("decoupler must be set as dm=nny\n");
}
if(refoc[A]=='n' && dm[C]=='y')
{
abort_message("with refoc=n decoupler must be set as dm=nnn\n");
}
/* Relaxation delay */
status(A);
delay(0.05);
zgradpulse(gzlvl0,gt0);
if (sspul[0] == 'y')
{
obspower(tpwr); decpower(pplvl);
simpulse(pw, pp, zero, zero, rg1, rg1); /* destroy H and C magnetization */
zgradpulse(gzlvl0,gt0);
}
delay(d1);
status(B);
obspower(Cdpwr);
obsunblank(); xmtron();
obsprgon(Cdseq, 1.0/Cdmf, Cdres);
pbox_decpulse(&hdx, zero, rg1, rg1);
obsprgoff(); xmtroff(); obsblank();
obspower(tpwr); decpower(pplvl);
delay(2.0e-4);
decrgpulse(pp, v1, rg1, rg1);
delay(tau1 - POWER_DELAY);
simpulse(2.0*pw, 2.0*pp, zero, zero, rg1, rg1);
txphase(one); decphase(one);
delay(tau1);
simpulse(pw, pp, one, one, rg1, rg1);
if(refoc[A]=='y')
{
txphase(zero); decphase(zero);
delay(tau2);
simpulse(2.0*pw, 2.0*pp, zero, zero, rg1, rg1);
delay(tau2 - rof2 - POWER_DELAY);
decrgpulse(pp, zero, rg1, rof2);
}
decpower(dpwr);
status(C);
}
pulsesequence()
{
double hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
tau,
evolcorr,
taug,
mult = getval("mult"),
null = getval("null");
int phase1 = (int)(getval("phase")+0.5),
prgcycle = (int)(getval("prgcycle")+0.5),
ZZgsign;
tau = 1/(4*(getval("j1xh")));
if (mult > 0.5)
taug = 2*tau;
else
taug = 0.0;
evolcorr=2*pw+4.0e-6;
ZZgsign=-1;
if (mult == 2) ZZgsign=1;
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && (satmode[0] == 'y') && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1,4,ph1);
settable(t2,2,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
settable(t5,16,ph5);
getelem(t1, v17, v1);
getelem(t3, v17, v3);
getelem(t4, v17, v4);
getelem(t2, v17, v2);
getelem(t5, v17, oph);
assign(zero,v6);
add(oph,v18,oph);
add(oph,v19,oph);
/*
mod2(id2,v14);
dbl(v14,v14);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if (phase1 == 2)
incr(v2);
add(v2,v14,v2);
add(oph,v14,oph);
if (mult > 0.5)
add(oph,two,oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,zero);
if (getflag("prgflg"))
shaped_purge(v6,zero,v18,v19);
}
else
{
satpulse(satdly,zero,rof1,rof1);
if (getflag("prgflg"))
purge(v6,zero,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(pwxlvl);
status(B);
if ((getflag("PFGflg")) && (getflag("nullflg")))
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2.0*pw,2.0*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
else if (null != 0.0)
{
rgpulse(pw,zero,rof1,rof1);
delay(2*tau);
simpulse(2*pw,2*pwx,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(pw,two,rof1,rof1);
if (satmode[1] == 'y')
{
if (getflag("slpsat"))
shaped_satpulse("BIRDnull",null,zero);
else
satpulse(null,zero,rof1,rof1);
}
else
delay(null);
}
rgpulse(pw,v6,rof1,rof1);
delay(tau);
simpulse(2*pw,2*pwx,zero,zero,rof1,rof1);
delay(tau);
rgpulse(pw,v1,rof1,rof1);
if (getflag("PFGflg"))
{
zgradpulse(hsglvl,2*hsgt);
delay(1e-3);
}
decrgpulse(pwx,v2,rof1,2.0e-6);
if (mult > 0.5)
{
delay(d2/2);
rgpulse(2*pw,zero,2.0e-6,2.0e-6);
delay(d2/2);
delay(taug);
simpulse(mult*pw,2*pwx,zero,zero,rof1,rof1);
delay(taug + evolcorr);
}
else
{
if (d2/2 > 0.0)
delay(d2/2 - (2*pwx/PI) - pw - 4.0e-6);
else
delay(d2/2);
rgpulse(2*pw,zero,2.0e-6,2.0e-6);
if (d2/2 > 0.0)
delay(d2/2 - (2*pwx/PI) - pw - 4.0e-6);
else
delay(d2/2);
}
decrgpulse(pwx,v4,2.0e-6,rof1);
if (getflag("PFGflg"))
{
zgradpulse(ZZgsign*0.6*hsglvl,1.2*hsgt);
delay(1e-3);
}
rgpulse(pw,v3,rof1,rof1);
delay(tau - (2*pw/PI) - 2*rof1);
simpulse(2*pw,2*pwx,zero,zero,rof1, rof2);
decpower(dpwr);
delay(tau - POWER_DELAY);
status(C);
}
pulsesequence()
{
char normal[MAXSTR],
focus[MAXSTR];
double spp, spplvl, pp, mult, j, d3;
double gt, gzlvl;
/* GATHER AND INTIALIZE */
getstr("focus", focus);
getstr("normal", normal);
spp = getval("spp");
spplvl = getval("spplvl");
pp = getval("pp");
mult = getval("mult");
j = getval("j");
gt = getval("gt");
gzlvl = getval("gzlvl");
/* calculate phases */
mod2(ct,v1); /* v1 = 01010101 */
dbl(v1,v1); /* v1 = 0 2 */
hlv(ct,v2);
mod2(v2,v2); /* v2 = 0 0 1 1 */
add(v1,v2,oph); /* oph = 0 2 1 3 */
/* if mult is zero, then do normal s2pul sequence */
if (mult == 0.0)
{
status(A);
hsdelay(d1);
pulse(p1, zero);
status(B);
delay(d2);
status(C);
pulse(pw,oph);
}
else /* this is the INEPT part of the sequence */
{
if (j != 0.0)
{ /* calculation of delays */
d3 = 1.0 / (2.0 * j);
if (mult < 2.5)
{
d2 = 1.0 / (2.0 * j);
}
else if (mult < 3.5)
{
d2 = 3.0 / (4.0 * j);
}
else
{
d2 = 1.0 / (3.0 * j);
}
}
else
d3 = getval("d3");
/* do equilibration delay */
if ((dm[A] == 'y') || (dm[B] == 'y'))
{
(void) printf("Decoupler must be set as dm=nny or n\n");
psg_abort(1);
}
if (declvlonoff)
declvlon(); /* use pplvl for pulse */
else
decpower(pplvl);
dec_pw_ovr(FALSE);
status(A);
delay(d1);
/* excitation transfer */
status(B);
decrgpulse(pp, v1, rof1, rof1);
decpower(spplvl);
dec_pw_ovr(TRUE);
delay(d3/2 - 2.0*(gt + spp + 1.0e-4));
/*nominal 1/(4j) corrected for H1 & gradient pulses */
zgradpulse(gzlvl,gt);
delay(1.0e-4);
simpulse(2*pw, 2*spp, zero, zero, rof1, rof1);
delay(1.0e-4);
zgradpulse(gzlvl,2.0*gt);
delay(1.0e-4);
simpulse(2.0*pw, 2.0*spp, zero, two, rof1, rof1);
zgradpulse(gzlvl,gt);
delay(1.0e-4);
decpower(pplvl);
dec_pw_ovr(FALSE);
delay(d3/2 - 2.0*(gt + spp + 1.0e-4));
simpulse(pw, pp, v2, one, 0.0, 0.0);
/* make decision on refocussing */
if ((focus[A] == 'y') || (dm[C] == 'y'))
{
decpower(spplvl);
dec_pw_ovr(TRUE);
delay(d2/2 - rof1 -spp); /* refocussing delay varied for 2d */
simpulse(2*pw, 2*spp, v2, zero, rof1, rof1);
delay(d2/2 - rof1 - spp);
}
else if (normal[A] == 'y')
{
decrgpulse(pp, v1, 1.0e-6, 0.0);
}
if (declvlonoff)
declvloff();
else
decpower(dpwr);
status(C);
}
}
