void DeconvolveTest::testDisk() {
debug(LOG_DEBUG, DEBUG_LOG, 0, "testDisk() begin");
DiskImage image1(ImageSize(256,256), ImagePoint(47,62), 1, 1);
ImagePtr iptr = ImagePtr(new Image<double>(image1));
DiskImage image2(ImageSize(256,256), ImagePoint(128,111), 1, 1);
BasicDeconvolutionOperator decon(image2);
ImagePtr fq = decon(iptr);
io::FITSout out("tmp/deconvolve-disk.fits");
out.setPrecious(false);
out.write(fq);
debug(LOG_DEBUG, DEBUG_LOG, 0, "testDisk() end");
}
static void CHESS(double pulsepower, char *pulseshape, double duration, codeint phase,
double rx1, double rx2, double gzlvlw, double gtw, double gswet, int c13wet)
{
obspwrf(pulsepower);
if (c13wet) decon();
shaped_pulse(pulseshape,duration,phase,rx1,rx2);
if (c13wet) decoff();
zgradpulse(gzlvlw,gtw);
delay(gswet);
}
void spec_template::sample_log_fwhh_re(size_t t)
{
double log_fwhh_re_prop;
double logratio = 0;
log_fwhh_re_prop=my_normrnd(FTems[t].log_fwhh_re_draw, sqrt(pars.log_fwhh_re_prop_var), rng);
matrix Lprop (L);
vector<double> decon(pars.p,0.0);
FTems[t].build_curve_fwhh_re_prop(pars.x, log_fwhh_re_prop, log_fwhh_draw, pars.freq);
if(WAVELETS)
{
dwt(FTems[t].curve_prop,pars.nlev, pars.h_vec, decon);
Lprop[t] = decon;
}
else
{
Lprop[t] = FTems[t].curve_prop;
}
logratio = calculate_metropolis_ratio_eta_local(&Lprop);
double logprior=0.0;
logprior+=normlogpdf(log_fwhh_re_prop, 0.0, sqrt(pars.log_fwhh_re_prior_var));
logprior-=normlogpdf(FTems[t].log_fwhh_re_draw, 0.0, sqrt(pars.log_fwhh_re_prior_var));
//logratio
//proposal
//cancels out
logratio+=logprior;
//logproposal
double logacceptance=log(my_rand(rng));
if(logratio>logacceptance)
{
FTems[t].prop_accept_log_fwhh_re(log_fwhh_re_prop);
shape_accepcount=shape_accepcount+1;
L[t]=Lprop[t];
FTems[t].log_fwhh_re_draw=log_fwhh_re_prop;
}
}
void spec_template::sample_log_fwhh()
{
double log_fwhh_prop;
double logratio = 0;
log_fwhh_prop=my_normrnd(log_fwhh_draw, sqrt(pars.log_fwhh_prop_var), rng);
matrix Lprop (L);
vector<double> decon(pars.p,0.0);
for (int t = 0; t < pars.l; t++)
{
FTems[t].build_curve(pars.x,log_fwhh_prop, pars.freq);
if(WAVELETS)
{
dwt(FTems[t].curve_prop,pars.nlev, pars.h_vec, decon);
Lprop[t] = decon;
}
else
{
Lprop[t] = FTems[t].curve_prop;
}
}
logratio = calculate_metropolis_ratio_eta_local(&Lprop);
double logprior=0.0;
logprior+=normlogpdf(log_fwhh_prop, pars.log_fwhh_prior_mean, sqrt(pars.log_fwhh_prior_var));
logprior-=normlogpdf(log_fwhh_draw, pars.log_fwhh_prior_mean, sqrt(pars.log_fwhh_prior_var));
logratio+=logprior;
//logproposal
double logacceptance=log(my_rand(rng));
if(logratio>logacceptance)
{
for (int t = 0; t < pars.l; t++)
{
FTems[t].prop_accept_log_fwhh();
}
shape_accepcount=shape_accepcount+1;
L=Lprop;
log_fwhh_draw=log_fwhh_prop;
}
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char cbdecseq[MAXSTR]; /* selective CB decoupling */
int t1_counter, /* used for states tppi in t1 */
ni = getval("ni");
double d2_init=0.0, /* used for states tppi in t1 */
tau1, /* Ha, J active for 1/4 of the time */
t1a, /* time increments for first dimension */
t1b,
t1c,
tau2, /* Ca */
tau3, /* CO */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
zeta = 4.7e-3, /* 1/4J delay for C-CO' */
theta = 14.0e-3, /* 1/4J delay for N-CO' */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
sheila, /* to transfer J evolution time hyperbolically into tau1 */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwCa180,
pwCO180,
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
swHa = getval("swHa"),
swCa = getval("swCa"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_Ca, cos_Ha,
angle_N, angle_Ca, angle_Ha, /* angle_N is calculated automatically */
gstab = getval("gstab"),
gt1 = getval("gt1"),
gt5 = getval("gt5"),
gt3 = getval("gt3"),
gt4= getval("gt4"),
gt8= getval("gt8"),
gt6=getval("gt6"),
gt7=getval("gt7"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl3 = getval("gzlvl3"),
gzlvl4= getval("gzlvl4"),
gzlvl8= getval("gzlvl8"),
gzlvl7= getval("gzlvl7");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_Ca = 0;
cos_Ha = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t8,1,phx);
settable(t9,4,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3;
lambda = 2.4e-3;
/* get calculated pulse lengths of shaped C13 pulses */
pwCa180=c13pulsepw("ca", "co", "square", 180.0);
pwCO180=c13pulsepw("co", "ca", "sinc", 180.0);
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_Ha=getval("angle_Ha"); cos_Ha=cos(PI*angle_Ha/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_Ha < 0) || (angle_Ha > 90) )
{ printf ("angle_Ha must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_Ha*cos_Ha + cos_Ca*cos_Ca) )
{
angle_N = 0.0;
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_Ha*cos_Ha + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swHa*cos_Ha + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_Ha:\t%6.2f\n", angle_Ha);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t3,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t4,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t3,1,4); tsadd(t4,1,4);} /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ha/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);}
if ( 0.5*0.25*ni*(cos_Ha/swTilt) > tauCH - 2*pwC - 2.0e-6 - gt3)
{
printf(" ni is too big for Ha. Make ni equal to %d or less.\n",
(int) ((tauCH - 2*pwC - 2.0e-6 - gt3)/(0.5*0.25*cos_Ha/swTilt)) );
psg_abort(1);
}
if (0.5*ni*(cos_Ca/swTilt) > zeta - gt8 - pwCa180/2
-pwCO180 - WFG2_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((zeta - gt8 - pwCa180/2 - pwCO180 - WFG2_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6)/(0.5*cos_Ca/swTilt)));
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 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
/* Hyperbolic sheila seems superior to original zeta approach */
/* subtract unavoidable delays from tauCH */
tauCH = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;
if (angle_Ca == 90.0)
{
sheila = 0.0;
}
else
{
if ((ni-1)/(2.0*sw1) > 2.0*tauCH)
{
if (tau1 > 2.0*tauCH) sheila = tauCH;
else if (tau1 > 0) sheila = 1.0/(1.0/tau1+1.0/tauCH-1.0/(2.0*tauCH));
else sheila = 0.0;
}
else
{
if (tau1 > 0) sheila = 1.0/(1.0/tau1 + 1.0/tauCH - 2.0*sw1/((double)(ni-1)));
else sheila = 0.0;
}
}
t1a = tau1 + tauCH;
t1b = tau1 - sheila;
t1c = tauCH - sheila;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("ca");
obspower(tpwr);
obspwrf(4095.0);
obsoffset(tof); /* tof set to water */
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
status(B);
rgpulse(pw, three, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
txphase(t3);
delay(gstab);
delay(t1c);
/* point b */
rgpulse(pw, t3, 0.0, 0.0);
txphase(zero); decphase(t4);
/* -----------HzCz---------- */
zgradpulse(gzlvl4, gt4); /* Crush graidient G12*/
delay(gstab);
/* end of HzCz */
c13pulse("ca", "co", "square", 90.0, t4, 2.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(tau2);
dec2rgpulse(2*pwN, zero, 2.0e-6, 2.0e-6);
decoff();
decprgoff();
zgradpulse(gzlvl8, gt8);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(tauCH- gt8 - pw - 2*pwN - 6.0e-6);
rgpulse(2.0*pw, zero, 2.0e-6, 0.0);
delay(zeta - tauCH -pw - pwCO180 - pwCa180/2 - 2.0*WFG_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6);
decoff();
decprgoff();
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl8, gt8); /* 2.0*GRADIENT_DELAY */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1.0/cbdmf,cbres);
decon();
delay(zeta - gt8 - pwCa180/2 - pwCO180 - 2.0*WFG_START_DELAY
- 3.0*POWER_DELAY - 3.0*PWRF_DELAY - 4.0e-6 - tau2); /* const-time */
decoff();
decprgoff();
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
c13pulse("ca", "co", "square", 90.0, zero, 2.0e-6, 0.0);
/* ---------CazCOz----------- */
set_c13offset("co");
zgradpulse(gzlvl6, gt6); /* Crush gradient G14 */
delay(gstab);
h1decon("DIPSI2", 27.0, 0.0);
decphase(t5);
/* ------- CazCOz ------------*/
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0);
decphase(zero);
delay(zeta - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY - pwCa180/2 - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
dec2phase(zero);
delay(theta - zeta - pwCa180/2 - WFG_START_DELAY - pwCO180/2
- 2.0*POWER_DELAY - 2.0*PWRF_DELAY - 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7);
dec2phase(t8);
delay(theta - SAPS_DELAY - WFG_START_DELAY - pwCO180/2 - 4.0e-6
- 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
/* -----------CzNz----------- */
dcplrphase(zero);
h1decoff();
zgradpulse(gzlvl7, gt7);
delay(gstab);
h1decon("DIPSI2", 27.0, 0.0);
/* -------------CzNz---------- */
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau3);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
dec2phase(t10);
if (tau3 > kappa + PRG_STOP_DELAY)
{
delay(timeTN - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > (kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero); /* WFG_START_DELAY + 2.0*POWER_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(kappa - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1
- 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCa180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /*pwCa180*/
delay(tau3);
}
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
{delay(lambda - 0.65*(pw + pwN) - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + gstab - 0.3*pw + 2.0*GRADIENT_DELAY
+ POWER_DELAY); }
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
setreceiver(t12);
statusdelay(C, gstab);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCTCa[MAXSTR], /* Flag for CT or non_CT on Ca dimension */
sel_flg[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
pwS4, /* selective CO 180 */
pwS3, /* selective Ca 180 */
pwS1, /* selecive Ca 90 */
pwS2, /* selective CO 90 */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCTCa",fCTCa);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
dpwr = getval("dpwr");
dpwr3 = getval("dpwr3");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
pwS1=c13pulsepw("ca", "co", "square", 90.0);
pwS2=c13pulsepw("co", "ca", "sinc", 90.0);
pwS3=c13pulsepw("ca", "co", "square", 180.0);
pwS4=c13pulsepw("co", "ca", "sinc", 180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 50.0e-6)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t5,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t1,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t5,1,4); tsadd(t1,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = 1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ca/swTilt;
tau2 = 1.0*t1_counter*cos_CO/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS4 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS4)*2.0*swTilt/cos_N))); psg_abort(1);}
if ((fCTCa[A]=='y') && (bigTCa - 0.5*ni*(cos_Ca/swTilt) - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6))
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTCa -WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6)/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
if (bigTCo - 0.5*ni*(cos_CO/swTilt) - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
printf(" ni is too big for CO. Make ni equal to %d or less.\n",
(int) ((bigTCo - 4.0e-6 - POWER_DELAY) / (0.5*cos_CO/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
set_c13offset("ca"); /* set Dec1 carrier at Ca */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
zero, zero, zero, 2.0e-6, 0.0);
set_c13offset("co"); /* set Dec1 carrier at Co */
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); dec2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxx 13CO to 13CA TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt10 - 100.2e-6 - (0.5*10.933*pwC));
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - 4.0e-6 - gt10 - 100.2e-6 - (0.5*10.933*pwC));
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0);
if (fCTCa[A]=='y')
{
/* Constant t2 */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1);
decoff();
decprgoff();
decpower(pwClvl);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwS4
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
decpower(pwClvl);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
initval(1.0,v3);
decstepsize(140);
dcplrphase(v3);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
}
/* non_constant t2 */
else
{
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decstepsize(1.0);
initval(sphase1, v3);
dcplrphase(v3);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
}
decpower(pwClvl);
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl12, gt12);
delay(gstab);
/* xxxxxxxxxxxxxxx 13CA to 13CO TRANSFER and CT 13CO EVOLUTION xxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
delay(taud - 4.0*pwN - POWER_DELAY
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY));
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
decphase(t8);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
delay(bigTCo - taud
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY) );
c13pulse("co", "ca", "sinc", 180.0, t8, 0.0, 0.0);
dcplrphase(zero); decphase(one);
delay(bigTCo - tau2 - POWER_DELAY - 4.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS4);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
txphase(zero);
dec2phase(t4);
delay(bigTN - gt5 - gstab -0.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwS3 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 4.0e-6, 0.0);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(50.0e-6);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(50.0e-6);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 2.0*POWER_DELAY);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char 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()
{
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);
}
void pulsesequence() {
// Define Variables and Objects and Get Parameter Values
CP hx = getcp("HX",0.0,0.0,0,1);
strncpy(hx.fr,"dec",3);
strncpy(hx.to,"obs",3);
putCmd("frHX='dec'\n");
putCmd("toHX='obs'\n");
MPSEQ spc5 = getspc5("spc5X",0,0.0,0.0,0,1);
MPSEQ spc5ref = getspc5("spc5X",spc5.iSuper,spc5.phAccum,spc5.phInt,1,1);
strncpy(spc5.ch,"obs",3);
putCmd("chXspc5='obs'\n");
DSEQ dec = getdseq("H");
strncpy(dec.t.ch,"dec",3);
putCmd("chHtppm='dec'\n");
strncpy(dec.s.ch,"dec",3);
putCmd("chHspinal='dec'\n");
// Set Constant-time Period for d2.
if (d2_index == 0) d2_init = getval("d2");
double d2_ = (ni - 1)/sw1 + d2_init;
putCmd("d2acqret = %f\n",roundoff(d2_,12.5e-9));
putCmd("d2dwret = %f\n",roundoff(1.0/sw1,12.5e-9));
//--------------------------------------
// Copy Current Parameters to Processed
//-------------------------------------
putCmd("groupcopy('current','processed','acquisition')");
// Dutycycle Protection
DUTY d = init_dutycycle();
d.dutyon = getval("pwH90") + getval("tHX") + getval("pwX90") +
spc5.t + spc5ref.t;
d.dutyoff = d1 + 4.0e-6 + 2.0*getval("tZF");
d.c1 = d.c1 + (!strcmp(dec.seq,"tppm"));
d.c1 = d.c1 + ((!strcmp(dec.seq,"tppm")) && (dec.t.a > 0.0));
d.t1 = d2_ + getval("rd") + getval("ad") + at;
d.c2 = d.c2 + (!strcmp(dec.seq,"spinal"));
d.c2 = d.c2 + ((!strcmp(dec.seq,"spinal")) && (dec.s.a > 0.0));
d.t2 = d2_ + getval("rd") + getval("ad") + at;
d = update_dutycycle(d);
abort_dutycycle(d,10.0);
// Create Phasetables
settable(phH90,4,table1);
settable(phHhx,4,table2);
settable(phXhx,4,table3);
settable(phXmix1,4,table4);
settable(phXmix2,4,table5);
settable(phRec,4,table6);
setreceiver(phRec);
if (phase1 == 2)
tsadd(phXhx,1,4);
// Begin Sequence
txphase(phXhx); decphase(phH90);
obspwrf(getval("aXhx")); decpwrf(getval("aH90"));
obsunblank(); decunblank(); _unblank34();
delay(d1);
sp1on(); delay(2.0e-6); sp1off(); delay(2.0e-6);
// H to X Cross Polarization
decrgpulse(getval("pwH90"),phH90,0.0,0.0);
decphase(phHhx);
_cp_(hx,phHhx,phXhx);
// F2 Indirect Period for X
obspwrf(getval("aX90"));
_dseqon(dec);
delay(d2);
_dseqoff(dec);
// Mixing with SPC5 Recoupling
rgpulse(getval("pwX90"),phXmix1,0.0,0.0);
obspwrf(getval("aXspc5"));
xmtrphase(v1); txphase(phXmix1);
delay(getval("tZF"));
decpwrf(getval("aHmix"));
decon();
_mpseq(spc5, phXmix1);
xmtrphase(v2); txphase(phXmix2);
_mpseq(spc5ref, phXmix2);
decoff();
obspwrf(getval("aX90"));
xmtrphase(zero); txphase(phXmix2);
delay(getval("tZF"));
rgpulse(getval("pwX90"),phXmix2,0.0,0.0);
// Begin Acquisition
_dseqon(dec);
obsblank(); _blank34();
delay(getval("rd"));
startacq(getval("ad"));
acquire(np, 1/sw);
endacq();
_dseqoff(dec);
obsunblank(); decunblank(); _unblank34();
}
pulsesequence() {
// Define Variables and Objects and Get Parameter Values
CP hy = getcp("HY",0.0,0.0,0,1);
strncpy(hy.fr,"dec",3);
strncpy(hy.to,"dec2",4);
putCmd("frHY='dec'\n");
putCmd("toHY='dec2'\n");
CP yx = getcp("YX",0.0,0.0,0,1);
strncpy(yx.fr,"dec2",4);
strncpy(yx.to,"obs",3);
putCmd("frYX='dec2'\n");
putCmd("toYX='obs'\n");
DSEQ dec = getdseq("H");
strncpy(dec.t.ch,"dec",3);
putCmd("chHtppm='dec'\n");
strncpy(dec.s.ch,"dec",3);
putCmd("chHspinal='dec'\n");
// Set Constant-time Period for d2.
if (d2_index == 0) d2_init = getval("d2");
double d2_ = (ni - 1)/sw1 + d2_init;
putCmd("d2acqret = %f\n",roundoff(d2_,12.5e-9));
putCmd("d2dwret = %f\n",roundoff(1.0/sw1,12.5e-9));
// Set Constant-time Period for d3.
if (d3_index == 0) d3_init = getval("d3");
double d3_ = (ni - 1)/sw1 + d3_init;
putCmd("d3acqret = %f\n",roundoff(d3_,12.5e-9));
putCmd("d3dwret = %f\n",roundoff(1.0/sw2,12.5e-9));
// Set Mixing Period to N Rotor Cycles
double taur,mix,srate;
mix = getval("tXmix");
srate = getval("srate");
taur = 0.0;
if (srate >= 500.0)
taur = roundoff((1.0/srate), 0.125e-6);
else {
printf("ABORT: Spin Rate (srate) must be greater than 500\n");
psg_abort(1);
}
mix = roundoff(mix,taur);
mix = mix - getval("pwX90");
if (mix < 0.0) mix = 0.0;
//--------------------------------------
// Copy Current Parameters to Processed
//-------------------------------------
putCmd("groupcopy('current','processed','acquisition')");
// Dutycycle Protection
DUTY d = init_dutycycle();
d.dutyon = getval("pwY90") + getval("pwH90") + getval("tHY") + getval("tYX")
+ 2.0*getval("pwX90") + mix;
d.dutyoff = d1 + 4.0e-6;
d.c1 = d.c1 + (!strcmp(dec.seq,"tppm"));
d.c1 = d.c1 + ((!strcmp(dec.seq,"tppm")) && (dec.t.a > 0.0));
d.t1 = d2 + d3 + getval("rd") + getval("ad") + at;
d.c2 = d.c2 + (!strcmp(dec.seq,"spinal"));
d.c2 = d.c2 + ((!strcmp(dec.seq,"spinal")) && (dec.s.a > 0.0));
d.t2 = d2 + d3 + getval("rd") + getval("ad") + at;
d = update_dutycycle(d);
abort_dutycycle(d,10.0);
// Create Phasetables
settable(phH90,4,table1);
settable(phHhy,4,table2);
settable(phY90,4,table3);
settable(phYhy,4,table4);
settable(phHyx,4,table5);
settable(phYyx,4,table6);
settable(phXyx,8,table7);
settable(phXmix1,8,table8);
settable(phXmix2,8,table9);
settable(phRec,8,table10);
if (phase2 == 2)
tsadd(phXyx,1,4);
if (phase1 == 2)
tsadd(phYhy,1,4);
// Begin Sequence
setreceiver(phRec);
txphase(phXyx); decphase(phH90); dec2phase(phY90);
obspwrf(getval("aXyx")); decpwrf(getval("aH90")); dec2pwrf(getval("aY90"));
obsunblank(); decunblank(); _unblank34();
delay(d1);
sp1on(); delay(2.0e-6); sp1off(); delay(2.0e-6);
// H to Y Cross Polarization with a Y Prepulse
dec2rgpulse(getval("pwY90"),phY90,0.0,0.0);
dec2phase(phYhy);
dec2pwrf(getval("aYyx"));
decrgpulse(getval("pwH90"),phH90,0.0,0.0);
decphase(phHhy);
_cp_(hy,phHhy,phYhy);
// F1 Indirect Period For Y
_dseqon(dec);
delay(d2);
_dseqoff(dec);
// Y to X Cross Polarization
decphase(phHyx); dec2phase(phYyx);
decpwrf(getval("aHyx"));
decunblank(); decon();
_cp_(yx,phYyx,phXyx);
decphase(phHhy);
decoff();
// F2 Indirect Period for X
txphase(phXmix1);
obspwrf(getval("aX90"));
_dseqon(dec);
delay(d3);
_dseqoff(dec);
// RAD(DARR) Mixing For X
decpwrf(getval("aHmix"));
decunblank(); decon();
rgpulse(getval("pwX90"),phXmix1,0.0,0.0);
txphase(phXmix2);
obsunblank();
delay(mix);
rgpulse(getval("pwX90"),phXmix2,0.0,0.0);
decoff();
// Begin Acquisition
_dseqon(dec);
obsblank(); _blank34();
delay(getval("rd"));
startacq(getval("ad"));
acquire(np, 1/sw);
endacq();
_dseqoff(dec);
obsunblank(); decunblank(); _unblank34();
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ribose[MAXSTR], /* ribose CHn groups only */
AH2H8[MAXSTR], /* Adenine H2-H8 correlation */
H2Opurge[MAXSTR],
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
taua = getval("taua"), /* time delays for CH coupling evolution */
taub = getval("taub"),
tauc = getval("tauc"),
/* string parameter rna_stCdec calls stud decoupling waveform from your shapelib.*/
studlvl, /* coarse power for STUD+ decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
dofa, /* dof shifted to 80 ppm for ribose and 145 ppm for AH2H8 */
tofa, /* tof shifted to 7.5 ppm in t1 for AH2H8 */
/* p_d is used to calculate the isotropic mixing on the C-ribose region */
p_d, /* 50 degree pulse for DIPSI-3 at rfdC */
rfdC, /* fine power for 7.5 kHz or 4.0 kHz rf at 500MHz */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
grecov = getval("grecov"), /* Gradient recovery delay, typically 150-200us */
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("ribose",ribose);
getstr("AH2H8",AH2H8);
getstr("H2Opurge",H2Opurge);
getstr("STUD",STUD);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t5,4,phi5);
settable(t9,8,phi9);
settable(t11,8,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rfC = 4095.0;
if (ribose[A] == 'y')
{
/* Center dof in RIBOSE region on 80ppm. */
tofa = tof;
dofa = dof - 30.0*dfrq;
/* dipsi-3 decoupling on C-ribose */
p_d = (5.0)/(9.0*4.0*7000.0*(sfrq/800)); /* 35ppm DIPSI-3 */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
ncyc = (int) (ncyc + 0.5);
}
else
{
/* Center dof in adenine C2-C4-C6-C8-C5 region on 145 ppm. */
tofa = tof + 2.5*sfrq;
dofa = dof + 35.0*dfrq;
/* dipsi-3 decoupling on C-aromatic */
p_d = (5.0)/(9.0*4.0*8000.0*(sfrq/800)); /* 40ppm DIPSI-3 */
rfdC = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfdC = (int) (rfdC + 0.5);
ncyc = (int) (ncyc + 0.5);
}
/* 80 ppm STUD+ decoupling */
strcpy(rna_stCdec, "wurst80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((ribose[A] == 'y' && AH2H8[A] == 'y' ))
{ text_error("Choose either ribose='y' or AH2H8='y' !! ");
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1); }
if( (((dm[C] == 'y') && (dm2[C] == 'y')) && (STUD[A] == 'y')) )
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' if STUD='y'"); psg_abort(1); }
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); }
if( dpwr > 50 )
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ text_error ("Deuterium decoupling power too high ! "); psg_abort(1); }
if ((ncyc > 1 ) && (ix == 1))
{ text_error("mixing time is %f ms.\n",(ncyc*97.8*4*p_d)); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t3,1,4);
if (phase2 == 2)
tsadd(t5,1,4);
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if(f1180[A] == 'y')
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if(f2180[A] == 'y')
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B] == 'y') lk_sample();
delay(d1);
if (dm3[B] == 'y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rfC);
obsoffset(tofa);
decoffset(dofa);
dec2offset(dof2);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(grecov/2);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
if (dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taua + tau1 - gt0 - 2.0*GRADIENT_DELAY - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
txphase(one);
decphase(t5);
obsoffset(tof);
delay(taua - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(grecov);
decrgpulse(pwC, t5, 0.0, 0.0);
delay(tau2);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taub - 2.0*pwN - gt4 - 2.0*GRADIENT_DELAY);
txphase(zero);
decpwrf(rfC);
delay(taub - 2.0*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(tau2);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(taub);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decpwrf(rfdC);
delay(taub - gt4 - 2.0*GRADIENT_DELAY);
decrgpulse(1.0e-3, zero, 0.0, 0.0);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(5.0*p_d,one,0.0,0.0);
decrgpulse(5.5*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.6*p_d,three,0.0,0.0);
decrgpulse(7.2*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.4*p_d,one,0.0,0.0);
decrgpulse(6.8*p_d,three,0.0,0.0);
decrgpulse(7.0*p_d,one,0.0,0.0);
decrgpulse(5.2*p_d,three,0.0,0.0);
decrgpulse(5.4*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.5*p_d,one,0.0,0.0);
decrgpulse(7.3*p_d,three,0.0,0.0);
decrgpulse(5.1*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(5.0*p_d,three,0.0,0.0);
decrgpulse(5.5*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.6*p_d,one,0.0,0.0);
decrgpulse(7.2*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.4*p_d,three,0.0,0.0);
decrgpulse(6.8*p_d,one,0.0,0.0);
decrgpulse(7.0*p_d,three,0.0,0.0);
decrgpulse(5.2*p_d,one,0.0,0.0);
decrgpulse(5.4*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.5*p_d,three,0.0,0.0);
decrgpulse(7.3*p_d,one,0.0,0.0);
decrgpulse(5.1*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(5.0*p_d,three,0.0,0.0);
decrgpulse(5.5*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.6*p_d,one,0.0,0.0);
decrgpulse(7.2*p_d,three,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.4*p_d,three,0.0,0.0);
decrgpulse(6.8*p_d,one,0.0,0.0);
decrgpulse(7.0*p_d,three,0.0,0.0);
decrgpulse(5.2*p_d,one,0.0,0.0);
decrgpulse(5.4*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.5*p_d,three,0.0,0.0);
decrgpulse(7.3*p_d,one,0.0,0.0);
decrgpulse(5.1*p_d,three,0.0,0.0);
decrgpulse(7.9*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
decrgpulse(5.0*p_d,one,0.0,0.0);
decrgpulse(5.5*p_d,three,0.0,0.0);
decrgpulse(0.6*p_d,one,0.0,0.0);
decrgpulse(4.6*p_d,three,0.0,0.0);
decrgpulse(7.2*p_d,one,0.0,0.0);
decrgpulse(4.9*p_d,three,0.0,0.0);
decrgpulse(7.4*p_d,one,0.0,0.0);
decrgpulse(6.8*p_d,three,0.0,0.0);
decrgpulse(7.0*p_d,one,0.0,0.0);
decrgpulse(5.2*p_d,three,0.0,0.0);
decrgpulse(5.4*p_d,one,0.0,0.0);
decrgpulse(0.6*p_d,three,0.0,0.0);
decrgpulse(4.5*p_d,one,0.0,0.0);
decrgpulse(7.3*p_d,three,0.0,0.0);
decrgpulse(5.1*p_d,one,0.0,0.0);
decrgpulse(7.9*p_d,three,0.0,0.0);
endhardloop();
decrgpulse(9.0*p_d/5.0, t9, 2.0e-6, 0.0);
if( H2Opurge[A] == 'y' )
{obspwrf(1000.0); rgpulse(900*pw, zero, 0.0, 0.0);
rgpulse(500*pw, one, 0.0, 0.0); obspwrf(4095.0); }
zgradpulse(gzlvl7, gt7);
decpwrf(rfC);
delay(50.0e-6);
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl7, gt7/1.6);
decrgpulse(pwC, three, 100.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(tauc - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauc - gt5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0);
dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
delay(grecov);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(taua - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
if (STUD[A]=='y') decpower(studlvl);
else
{
decpower(dpwr);
dec2power(dpwr2);
}
delay(taua - gt5);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y') lk_sample();
setreceiver(t11);
if ((STUD[A]=='y') && (dm[C] == 'y'))
{
decpower(studlvl);
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
}
static void WET(codeint phaseA, codeint phaseB)
{
double finepwr,gzlvlw,gtw,gswet,dmfwet,dpwrwet,dofwet,wetpwr,pwwet,dz,
ref_pw90 = getval("ref_pw90"),
ref_pwr = getval("ref_pwr"),
slp0bw = getval("slp0bw"),
slpbw = getval("slpbw"),
slp2bw = getval("slp2bw"),
slp3bw = getval("slp3bw"),
slp4bw = getval("slp4bw"),
slp5bw = getval("slp5bw"),
slp6bw = getval("slp6bw"),
slp0,slp,slp2,
slp3,slp4,slp5,slp6;
int slp0w,slpw,slp2w,slp3w,slp4w,slp5w,slp6w,c13wet;
char wetshape[MAXSTR];
c13wet=getflag("c13wet"); /* C13 satellite suppression flag */
getstr("wetshape",wetshape); /* Selective pulse shape (basename) */
wetpwr=getval("wetpwr"); /* User enters power for 90 deg. */
pwwet=getval("pwwet"); /* User enters power for 90 deg. */
dmfwet=getval("dmfwet"); /* dmf for the C13 decoupling */
dpwrwet=getval("dpwrwet"); /* Power fot the C13 decoupling */
dofwet=getval("dofwet"); /* Offset for the C13 decoupling */
dz=getval("dz"); /* Post WET delay */
slp0w=getflag("slp0w"); /* Flags whether user is requesting */
slpw=getflag("slpw"); /* WET suppression on each solvent */
slp2w=getflag("slp2w"); /* signal */
slp3w=getflag("slp3w");
slp4w=getflag("slp4w");
slp5w=getflag("slp5w");
slp6w=getflag("slp6w");
/* On-the fly calculation of the WET shapes.
d.a. March 2001
First check if any of the WET related parameters are arrayed,
in order to avoid extra pulse shaping */
if ((getval("arraydim") < 1.5) || (ix==1) || (isarry("ref_pwr")) || (isarry("ref_pw90")) || (isarry("tof")) || (isarry("slp0bw")) || (isarry("slp")) || (isarry("slpbw")) || (isarry("slp2bw")) || (isarry("slp3bw")) || (isarry("slp4bw")) || (isarry("slp5bw")) || (isarry("slp6bw")) || (isarry("slp0")) || (isarry("slp2")) || (isarry("slp3")) || (isarry("slp4")) || (isarry("slp5")) || (isarry("slp6")) || (isarry("slp0w")) || (isarry("slpw")) || (isarry("slp2w")) || (isarry("slp3w")) || (isarry("slp4w")) || (isarry("slp5w")) || (isarry("slp6w")))
{
/* Set the name of the shape file to wetshape if not arrayed,
for compatibility reasons with the other sequences of the LC
and VAST package.
If something is arrayed then the first elements named with
wetshape and all subsequent with wetshape_n, where n is
the array index */
if (ix==1)
sprintf(wetarr, "%s", wetshape);
else
sprintf(wetarr, "%s_%d", wetshape, ix);
/* Open Pbox and start pulse shape calculation */
opx(wetarr);
/* Explicitly check whether each one of the seven solvent lines
is chosen to be suppressed. If the slpN parameter is set to
'n' or the slpNw flag is set to 'n' then no wave is put into Pbox.
Otherwise the proper line with the SEDUCE shape is addded.
var_active information can be found in /vnmr/psg/active.c */
if ((var_active("slp0",1)) && (slp0w))
{ slp0 = getval("slp0");
putwave("seduce",slp0bw/2,slp0,0.0,0.0,90.0); }
if ((var_active("slp",1)) && (slpw))
{ slp = getval("slp");
putwave("seduce",slpbw/2,slp,0.0,0.0,90.0); }
if ((var_active("slp2",1)) && (slp2w))
{ slp2 = getval("slp2");
putwave("seduce",slp2bw/2,slp2,0.0,0.0,90.0); }
if ((var_active("slp3",1)) && (slp3w))
{ slp3 = getval("slp3");
putwave("seduce",slp3bw/2,slp3,0.0,0.0,90.0); }
if ((var_active("slp4",1)) && (slp4w))
{ slp4 = getval("slp4");
putwave("seduce",slp4bw/2,slp4,0.0,0.0,90.0); }
if ((var_active("slp5",1)) && (slp5w))
{ slp5 = getval("slp5");
putwave("seduce",slp5bw/2,slp5,0.0,0.0,90.0); }
if ((var_active("slp6",1)) && (slp6w))
{ slp6 = getval("slp6");
putwave("seduce",slp6bw/2,slp6,0.0,0.0,90.0); }
/* Add additional control parameters, close Pbox and retrieve
the shape parameters into the proper variables */
pbox_par("attn","i");
pbox_par("reps","2");
cpx(ref_pw90,ref_pwr);
pbox_get();
wetpwr = pbox_pwr;
pwwet = pbox_pw;
}
else
{ /* Read the pbx.RF shape file and retrieve the wetpwr and pwwet values */
dumshape=getRsh(wetshape);
wetpwr = dumshape.pwr;
pwwet = dumshape.pw;
}
finepwr=wetpwr-(int)wetpwr; /* Adjust power to 152 deg. pulse */
wetpwr=(double)((int)wetpwr);
if (finepwr==0.0) {wetpwr=wetpwr+5; finepwr=4095.0; }
else {wetpwr=wetpwr+6; finepwr=4095.0*(1-((1.0-finepwr)*0.12)); }
rcvroff();
if (c13wet)
{
decunblank(); decon();
decoffset(dofwet);
decpower(dpwrwet);
if (rfwg[DECch-1]=='y')
decprgon("garp1",1/dmfwet,1.0);
else
setstatus(DECch,FALSE,'g',FALSE,dmfwet);
}
obspower(wetpwr); /* Set to low power level */
gzlvlw=getval("gzlvlw"); /* Z-Gradient level */
gtw=getval("gtw"); /* Z-Gradient duration */
gswet=getval("gswet"); /* Post-gradient stability delay */
CHESS(finepwr*0.5056,wetarr,pwwet,phaseA,20.0e-6,rof2,gzlvlw,gtw,gswet,c13wet);
CHESS(finepwr*0.6298,wetarr,pwwet,phaseB,20.0e-6,rof2,gzlvlw/2.0,gtw,gswet,c13wet);
CHESS(finepwr*0.4304,wetarr,pwwet,phaseB,20.0e-6,rof2,gzlvlw/4.0,gtw,gswet,c13wet);
CHESS(finepwr*1.00,wetarr,pwwet,phaseB,20.0e-6,rof2,gzlvlw/8.0,gtw,gswet,c13wet);
if (c13wet)
{
if (rfwg[DECch-1]=='y')
decprgoff();
else
setstatus(DECch,FALSE,'c',FALSE,dmf);
decoffset(dof);
decpower(dpwr);
decoff(); decblank();
}
obspower(tpwr); obspwrf(tpwrf); /* Reset to normal power level */
rcvron();
delay(dz);
}
pulsesequence() {
// Define Variables and Objects and Get Parameter Values
CP hx = getcp("HX",0.0,0.0,0,1);
strncpy(hx.fr,"dec",3);
strncpy(hx.to,"obs",3);
putCmd("frHX='dec'\n");
putCmd("toHX='obs'\n");
MPSEQ fh = getfslg("fslgH",0,0.0,0.0,0,1);
strncpy(fh.ch,"dec",3);
putCmd("chHfslg='dec'\n");
MPSEQ fx = getfslg("fslgX",0,0.0,0.0,0,1);
strncpy(fx.ch,"obs",3);
putCmd("chXfslg='obs'\n");
DSEQ dec = getdseq("H");
strncpy(dec.t.ch,"dec",3);
putCmd("chHtppm='dec'\n");
strncpy(dec.s.ch,"dec",3);
putCmd("chHspinal='dec'\n");
// Set Constant-time Period for d2.
if (d2_index == 0) d2_init = getval("d2");
double d2_ = (ni - 1)/sw1 + d2_init;
putCmd("d2acqret = %f\n",roundoff(d2_,12.5e-9));
putCmd("d2dwret = %f\n",roundoff(1.0/sw1,12.5e-9));
//--------------------------------------
// Copy Current Parameters to Processed
//-------------------------------------
putCmd("groupcopy('current','processed','acquisition')");
// Dutycycle Protection
DUTY d = init_dutycycle();
d.dutyon = getval("pwH90") + getval("tHX") + d2_;
d.dutyoff = d1 + 4.0e-6;
d.c1 = d.c1 + (!strcmp(dec.seq,"tppm"));
d.c1 = d.c1 + ((!strcmp(dec.seq,"tppm")) && (dec.t.a > 0.0));
d.t1 = getval("rd") + getval("ad") + at;
d.c2 = d.c2 + (!strcmp(dec.seq,"spinal"));
d.c2 = d.c2 + ((!strcmp(dec.seq,"spinal")) && (dec.s.a > 0.0));
d.t2 = getval("rd") + getval("ad") + at;
d = update_dutycycle(d);
abort_dutycycle(d,10.0);
// Set Phase Tables
settable(phH90,4,table1);
settable(phXhx,4,table2);
settable(phHhx,4,table3);
settable(phHtilt,4,table4);
settable(phHfslg,4,table5);
settable(phXlock,4,table6);
settable(phRec,4,table7);
setreceiver(phRec);
// Begin Sequence
txphase(phXhx); decphase(phH90);
obspwrf(getval("aXhx")); decpwrf(getval("aH90"));
obsunblank(); decunblank(); _unblank34();
delay(d1);
sp1on(); delay(2.0e-6); sp1off(); delay(2.0e-6);
// H to X Cross Polarization
decrgpulse(getval("pwH90"),phH90,0.0,0.0);
decphase(phHhx);
_cp_(hx,phHhx,phXhx);
// Tilt Pulse on H with Continued X Spinlock
xmtron(); decon();
decpwrf(getval("aH90")); obspwrf(getval("aXhx"));
decrgpulse(getval("pwHtilt"),phHtilt,0.0,0.0);
// FSLG Spinlocks on X and H
xmtron(); decon();
_mpseqon(fh,phHfslg); _mpseqon(fx,phXlock);
delay(d2);
_mpseqoff(fh); _mpseqoff(fx);
// Begin Acquisition
obsblank(); _blank34();
_dseqon(dec);
delay(getval("rd"));
startacq(getval("ad"));
acquire(np, 1/sw);
endacq();
_dseqoff(dec);
obsunblank(); decunblank(); _unblank34();
}
pulsesequence()
{
double j1min = getval("j1min"),
j1max = getval("j1max"),
gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
pwx180 = getval("pwx180"),
pwxlvl180 = getval("pwxlvl180"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
dmfct = getval("dmfct"),
dpwrct = getval("dpwrct"),
tau,
tau1,
tau3,
bigT = getval("BigT");
char pwx180ad[MAXSTR],
dmct[MAXSTR],
pwx180adR[MAXSTR];
int icosel,
MAXni,
prgcycle = (int)(getval("prgcycle")+0.5),
phase1 = (int)(getval("phase")+0.5);
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",1.0);
gzlvlE = syncGradLvl("gtE","gzlvlE",1.0);
getstr("pwx180ad",pwx180ad);
getstr("pwx180adR",pwx180adR);
getstr("dmct",dmct);
tau1 = 1/(2*(j1min + 0.07*(j1max - j1min)));
tau3 = 1/(2*(j1max - 0.07*(j1max - j1min)));
tau = 1 / (j1min+j1max);
/* Make sure ni does not exceed what is allowed by BigT */
MAXni = (((bigT/2 - 1/(j1min+j1max) - 2*gtE - 2*gstab - pwx180)*2*sw1) - 2);
if ((ni > MAXni) && (ix==1))
{
ni = MAXni;
putCmd("setvalue('ni',%.0f)\n",ni);
putCmd("setvalue('ni',%.0f,'processed')\n",ni);
fprintf(stdout, "ni set to maximum value of %0.f.\n",ni);
}
icosel = 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, 8, ph2);
settable(t3, 16, ph3);
settable(t6, 2, ph6);
getelem(t1, v17, v1);
getelem(t2, v17, v2);
getelem(t6, v17, oph);
getelem(t3, v17, v3);
assign(zero,v6);
add(oph,one,v5);
assign(zero,v4);
add(oph,v18,oph);
add(oph,v19,oph);
/*
mod2(id2, v10);
dbl(v10,v10);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v10);
add(v2, v10, v2);
add(v4, v10, v4);
add(oph, v10, oph);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
status(A);
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);
obspower(tpwr);
decpower(pwxlvl);
if (getflag("nullflg"))
{
rgpulse(0.5 * pw, zero, rof1, rof1);
delay(tau);
decpower(pwxlvl180);
decshaped_pulse(pwx180ad, pwx180, zero, rof1, rof1);
rgpulse(2.0 * pw, zero, rof1, rof1);
delay(tau + 2 * POWER_DELAY);
decshaped_pulse(pwx180adR, pwx180, zero, rof1, rof1);
decpower(pwxlvl);
rgpulse(1.5 * pw, two, rof1, rof1);
zgradpulse(hsglvl, hsgt);
delay(1e-3);
}
status(B);
rgpulse(pw, v6, rof1, rof1);
if (getflag("dmct"))
{
decpower(dpwrct);
decprgon("garp1",1/dmfct,1.0);
/*
setstatus(DECch, TRUE, 'g', FALSE, dmfct);
*/
decunblank();
decon();
}
delay(bigT/2 - d2/2 - tau - 2*gtE - 2*gstab - pwx180 );
rgpulse(2*pw,zero,rof1,rof1);
delay(bigT/2 - d2/2 - tau - 2*gtE - 2*gstab - pwx180 );
if (getflag("dmct"))
{
decoff();
decblank();
decprgoff();
/*
setstatus(DECch, FALSE, 'c', FALSE, dmf);
*/
decpower(pwxlvl);
}
delay(4*pw/PI+2*rof1);
delay(tau);
decrgpulse(pwx,v2,rof1,rof1);
decpower(pwxlvl180);
delay(gtE+2*GRADIENT_DELAY+gstab+pw-2*pwx/PI-POWER_DELAY);
decshaped_pulse(pwx180ad,pwx180,v4,rof1,rof1);
delay(d2/2);
zgradpulse(icosel*gzlvlE,gtE);
delay(gstab);
rgpulse(2*pw,zero,rof1,rof1);
zgradpulse(icosel*gzlvlE,gtE);
delay(gstab);
delay(d2/2);
decshaped_pulse(pwx180ad,pwx180,v3,rof1,rof1);
delay(gtE+2*GRADIENT_DELAY+gstab+pw-2*pwx/PI-POWER_DELAY);
decpower(pwxlvl);
decrgpulse(pwx,v1,rof1,rof1);
delay(tau);
simpulse(pw,pwx,one,zero,rof1,rof1);
zgradpulse(6*gzlvlE/(10*EDratio),gtE);
delay(tau3 - gtE - 2*GRADIENT_DELAY);
decrgpulse(pwx,zero,rof1,rof1);
zgradpulse(14*gzlvlE/(10*EDratio),gtE);
delay(tau - gtE - 2*GRADIENT_DELAY);
simpulse(2*pw,pwx,zero,zero,rof1,rof1);
zgradpulse(40*gzlvlE/(10*EDratio),gtE);
delay(tau1 - gtE - 2*GRADIENT_DELAY - POWER_DELAY);
decpower(dpwr);
status(C);
delay(tau+tau3+3*pwx+6*rof1-tau1+WFG_START_DELAY);
}
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()
{
char CT_flg[MAXSTR], /* Constant time flag */
shname1[MAXSTR],
shname2[MAXSTR],
shname3[MAXSTR],
f1180[MAXSTR],
Cdecflg[MAXSTR],
Cdecseq[MAXSTR],
grad_flg[MAXSTR]; /*gradient flag */
int t1_counter,
phase;
double d2_init=0.0,
adjust = getval("adjust"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
shlvl1 = getval("shlvl1"),
shlvl2 = getval("shlvl2"),
shlvl3 = getval("shlvl3"),
shdmf2 = getval("shdmf2"),
shpw1 = getval("shpw1"),
shpw2 = getval("shpw2"),
shpw3 = getval("shpw3"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
dpwr = getval("dpwr"),
CT_delay = getval("CT_delay"),
d2 = getval("d2"),
tau1 = getval("tau1"),
tauch = getval("tauch");
getstr("shname1", shname1);
getstr("shname2", shname2);
getstr("shname3", shname3);
getstr("CT_flg", CT_flg);
getstr("grad_flg",grad_flg);
getstr("f1180",f1180);
getstr("Cdecflg",Cdecflg);
getstr("Cdecseq",Cdecseq);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t2,2,phi2);
if (phase == 1) ;
if (phase == 2) tsadd(t1,1,4);
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1;
if (f1180[0] == 'y') tau1 = tau1-pwC*4.0/3.0;
if(CT_flg[0] == 'y')
{
if ( (ni/sw1) > (CT_delay-pwC*8.0/3.0))
{ text_error( " ni is too big. Make ni equal to %d or less.\n",
((int)((CT_delay-pwC*8.0/3.0)*sw1)) ); psg_abort(1); }
}
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t2,2,4); }
status(A);
decpower(pwClvl);
decoffset(dof);
obsoffset(tof);
zgradpulse(gzlvl2, gt2);
lk_sample();
delay(1.0e-4);
delay(d1-gt2);
if (ix < (int)(2.0*ni)) lk_hold(); /*force lock sampling at end of experiment*/
obspower(shlvl1);
shaped_pulse(shname1,shpw1,zero,2.0e-4,2.0e-6);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
if (ni == 0)
{
delay(tauch-gt1-1.0e-4-WFG_START_DELAY+pwC*4.0-adjust);
obspower(shlvl2);
shaped_pulse(shname2,shpw2,zero,2.0e-6,2.0e-6);
obspower(shlvl1);
decrgpulse(pwC,t1,0.0,0.0);
decrgpulse(pwC*2.0,zero,0.0,0.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
delay(tauch-gt1-1.0e-4-adjust);
obspower(shlvl2);
status(B);
if(CT_flg[0] == 'y')
{
/*************************************************/
/**** CT EVOLUTION **********/
/*************************************************/
decrgpulse(pwC,t1,0.0,0.0);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decpower(shlvl3);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
shapedpulse(shname2,shpw2,zero,0.0,0.0);
delay((CT_delay+tau1)*0.25-shpw2*0.5);
decshaped_pulse(shname3,shpw3,zero,0.0,0.0);
decpower(pwClvl);
delay((CT_delay-tau1)*0.25-pwC*2.0/3.0);
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
/*************************************************/
/**** REAL-TIME EVOLUTION **********/
/*************************************************/
if ((tau1) > shpw2)
{
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
}
delay((tau1-shpw2)*0.5);
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay(shpw2);
obsprgoff();
obsblank();
xmtroff();
delay((tau1-shpw2)*0.5);
if(Cdecflg[0] == 'y')
{
decoff(); decprgoff();
decpower(pwClvl);
}
decrgpulse(pwC,zero,0.0,0.0);
}
else
{
xmtrphase(zero);
xmtron();
obsunblank();
obsprgon(shname2,1/shdmf2,9.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
decrgpulse(pwC,t1,0.0,0.0);
if(Cdecflg[0] == 'y')
{
decpower(getval("Cdecpwr"));
decprgon(Cdecseq, 1.0/getval("Cdecdmf"), getval("Cdecres"));
decon();
delay(tau1);
decoff(); decprgoff();
decpower(pwClvl);
}
else
delay(tau1);
decrgpulse(pwC,zero,0.0,0.0);
delay((shpw2-tau1-pwC*2.0)*0.5);
obsprgoff();
obsblank();
xmtroff();
}
}
obspower(shlvl1);
status(A);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay(tauch-gt1-1.0e-4-POWER_DELAY);
decpower(dpwr);
status(C);
setreceiver(t2);
}
}
void pulsesequence() {
// Define Variables and Objects and Get Parameter Values
CP hy = getcp("HY",0.0,0.0,0,1);
strncpy(hy.fr,"dec",3);
strncpy(hy.to,"dec2",4);
putCmd("frHY='dec'\n");
putCmd("toHY='dec2'\n");
CP yx = getcp("YX",0.0,0.0,0,1);
strncpy(yx.fr,"dec2",4);
strncpy(yx.to,"obs",3);
putCmd("frYX='dec2'\n");
putCmd("toYX='obs'\n");
DSEQ dec = getdseq("H");
strncpy(dec.t.ch,"dec",3);
putCmd("chHtppm='dec'\n");
strncpy(dec.s.ch,"dec",3);
putCmd("chHspinal='dec'\n");
//--------------------------------------
// Copy Current Parameters to Processed
//-------------------------------------
putCmd("groupcopy('current','processed','acquisition')");
// Dutycycle Protection
DUTY d = init_dutycycle();
d.dutyon = getval("pwY90") + getval("pwH90") + getval("tHY") + getval("tYX")
+ 2.0*getval("pwX90");
d.dutyoff = d1 + 4.0e-6;
d.c1 = d.c1 + (!strcmp(dec.seq,"tppm"));
d.c1 = d.c1 + ((!strcmp(dec.seq,"tppm")) && (dec.t.a > 0.0));
d.t1 = getval("rd") + getval("ad") + at;
d.c2 = d.c2 + (!strcmp(dec.seq,"spinal"));
d.c2 = d.c2 + ((!strcmp(dec.seq,"spinal")) && (dec.s.a > 0.0));
d.t2 = getval("rd") + getval("ad") + at;
d = update_dutycycle(d);
abort_dutycycle(d,10.0);
// Create Phasetables
settable(phH90,4,table1);
settable(phHhy,4,table2);
settable(phY90,4,table3);
settable(phYhy,4,table4);
settable(phHyx,4,table5);
settable(phYyx,4,table6);
settable(phXyx,8,table7);
settable(phRec,8,table8);
// Begin Sequence
setreceiver(phRec);
txphase(phXyx); decphase(phH90); dec2phase(phY90);
obspwrf(getval("aXyx")); decpwrf(getval("aH90")); dec2pwrf(getval("aY90"));
obsunblank(); decunblank(); _unblank34();
delay(d1);
sp1on(); delay(2.0e-6); sp1off(); delay(2.0e-6);
// H to Y Cross Polarization with a Y Prepulse
dec2rgpulse(getval("pwY90"),phY90,0.0,0.0);
dec2phase(phYhy);
dec2pwrf(getval("aYyx"));
decrgpulse(getval("pwH90"),phH90,0.0,0.0);
decphase(phHhy);
_cp_(hy,phHhy,phYhy);
// Y to X Cross Polarization
decphase(phHyx); dec2phase(phYyx);
decpwrf(getval("aHyx"));
decunblank(); decon();
_cp_(yx,phYyx,phXyx);
decphase(phHhy);
dec2blank();
decoff();
// Begin Acquisition
_dseqon(dec);
obsblank(); _blank34();
delay(getval("rd"));
startacq(getval("ad"));
acquire(np, 1/sw);
endacq();
_dseqoff(dec);
obsunblank(); decunblank(); _unblank34();
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
sh_reb[MAXSTR],
codec[MAXSTR],
MQ_flg[MAXSTR],
filter_flg[MAXSTR];
int phase,
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
taua, /* set to exactly 1/4JCH */
tsatpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
tpwr_cp, /* power level for 1H CPMG */
pw_cp, /* 1H pw for CPMG */
ncyc_cp, /* number of CPMG cycles */
time_T2, /* total time for CPMG trains */
tau_cpmg,
dhpwr,
pwc,
dmf_co,
dpwr_co,
dresco,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
tpwr,
pw,
d_reb,
pwc_reb,
dpwr3_D,
pwd,
pwd1,
tau_eq,
pwn,
dhpwr2;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("sh_reb",sh_reb);
getstr("codec",codec);
getstr("MQ_flg",MQ_flg);
getstr("filter_flg",filter_flg);
taua = getval("taua");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
tpwr_cp = getval("tpwr_cp");
pw_cp = getval("pw_cp");
ncyc_cp = getval("ncyc_cp");
time_T2 = getval("time_T2");
dhpwr = getval("dhpwr");
pwc = getval("pwc");
pwn = getval("pwn");
dhpwr2 = getval("dhpwr2");
dmf_co = getval("dmf_co");
dpwr_co = getval("dpwr_co");
dresco = getval("dresco");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
tpwr = getval("tpwr");
pw = getval("pw");
d_reb = getval("d_reb");
pwc_reb = getval("pwc_reb");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwd1 = getval("pwd1");
tau_eq = getval("tau_eq");
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t4,8,phi4);
settable(t5,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
abort(1);
}
if(tpwr_cp > 62)
{
printf("don't fry the probe, tpwr_cp too large: < 62! ");
abort(1);
}
if(pw_cp < 9.5e-6) {
printf("pw_cp is too low; > 9.5us\n");
abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
abort(1);
}
if(gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3 || gt4 > 3e-3
|| gt5 > 3e-3 || gt6 > 3e-3)
{
printf("gradients on for too long. Must be < 3e-3 \n");
abort(1);
}
if(ncyc_cp > 80) {
printf("ncyc_cp is too large; must be less than 81\n");
abort(1);
}
if(time_T2 > .080) {
printf("time_T2 is too large; must be less than 80 ms\n");
abort(1);
}
if(ncyc_cp > 0) {
tau_cpmg = time_T2/(4.0*ncyc_cp) - pw_cp;
if(ix==1)
printf("nuCPMG for curent experiment is (Hz): %5.3f\n",1/(4.0*(tau_cpmg+pw_cp)));
}
else {
tau_cpmg = time_T2/(4.0) - pw_cp;
if(ix==1)
printf("nuCPMG for curent experiment is (Hz): not applicable");
}
if(tau_cpmg + pw_cp < 125e-6) {
printf("tau_cpmg is too small; decrease ncyc_cp\n");
abort(1);
}
if(dpwr_co > 42) {
printf("dpwr_co is too high; < 42\n");
abort(1);
}
if(dpwr3_D > 51) {
printf("dpwr3_D is too high; < 52\n");
abort(1);
}
if(dpwr3 > 59) {
printf("dpwr3 is too high; < 60\n");
abort(1);
}
if(ix==1)
printf("If at 800 turn dpwr3=-16, pwd1=0\n");
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t1,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(MQ_flg[A] == 'n')
tau1 = tau1 - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY
- 2.0*pw - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY
- 4.0e-6;
else
tau1 = tau1 - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY
- 2.0*pw - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY
- 4.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1));
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
if(tau1 < 0.4e-6)
tau1 = 0.4e-6;
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
rlpower(tsatpwr,TODEV); /* Set transmitter power for 1H presaturation */
rlpower(dhpwr,DODEV); /* Set Dec1 power for 13C pulses */
rlpower(dhpwr2,DO2DEV); /* Set Dec2 power for 15N pulses */
obsoffset(tof);
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
rlpower(tpwr,TODEV); /* 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);
}
rlpower(tpwr,TODEV); /* Set transmitter power for 1H CPMG pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
rcvroff();
delay(20.0e-6);
decrgpulse(pwc,zero,4.0e-6,0.0);
delay(2.0e-6);
rgradient('z',gzlvl1);
delay(gt1);
rgradient('z',0.0);
delay(250.0e-6);
rgpulse(pw,zero,0.0,0.0);
decpower(d_reb);
delay(2.0e-6);
rgradient('z',gzlvl2);
delay(gt2);
rgradient('z',0.0);
delay(150.0e-6);
if(filter_flg[A] == 'y')
delay(taua - POWER_DELAY - gt2 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb - 4.0/PI*pw);
else
delay(taua - POWER_DELAY - gt2 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
txphase(one);
decpower(dhpwr);
decphase(t4);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - POWER_DELAY - gt2 - 152e-6 );
delay(2.0e-6);
rgradient('z',gzlvl2);
delay(gt2);
rgradient('z',0.0);
delay(150.0e-6);
if(filter_flg[A] == 'n')
rgpulse(pw,one,0.0,0.0);
if(filter_flg[A] == 'y') {
decrgpulse(pwc,t4,0.,0.);
decpower(d_reb);
decphase(zero);
delay(2.0e-6);
rgradient('z',gzlvl0);
delay(gt0);
rgradient('z',0.0);
delay(150.0e-6);
delay(taua - POWER_DELAY - gt0 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
txphase(one);
decpower(dhpwr);
decphase(t4);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - POWER_DELAY - gt0 - 152e-6 );
delay(2.0e-6);
rgradient('z',gzlvl0);
delay(gt0);
rgradient('z',0.0);
delay(150.0e-6);
decrgpulse(pwc,t4,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
}
decphase(t1);
delay(2.0e-6);
rgradient('z',gzlvl3);
delay(gt3);
rgradient('z',0.0);
delay(250.0e-6);
/* 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 */
if(MQ_flg[A] == 'y') {
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.0*pwn - PRG_START_DELAY - PRG_STOP_DELAY);
}
decrgpulse(pwc,t1,4.0e-6,0.0);
decphase(zero);
/* 13CO decoupling on */
decpower(dpwr_co);
decprgon(codec,1.0/dmf_co,dresco);
decon();
/* 13CO decoupling on */
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
dec2rgpulse(2.0*pwn,zero,0.0,0.0);
delay(tau1);
/* 13CO decoupling off */
decoff();
decprgoff();
/* 13CO decoupling off */
decpower(dhpwr);
decrgpulse(pwc,zero,4.0e-6,0.0);
if(MQ_flg[A] == 'y')
rgpulse(pw,zero,0.0,0.0);
/* turn off decoupling */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* turn off decoupling */
obspower(tpwr_cp);
if(MQ_flg[A] == 'n') {
delay(2.0e-6);
rgradient('z',gzlvl4);
delay(gt4);
rgradient('z',0.0);
delay(250.0e-6);
}
else {
delay(2.0e-6);
rgradient('z',-1.0*gzlvl4);
delay(gt4);
rgradient('z',0.0);
delay(250.0e-6);
}
/* now include a delay to allow the spin system to equilibrate */
delay(tau_eq);
rgpulse(pw_cp,t2,4.0e-6,0.0);
txphase(one);
/* start of the CPMG period 1 */
if(ncyc_cp == 1) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
if(ncyc_cp == 2) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
if(ncyc_cp > 2) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
initval(ncyc_cp-2,v4);
loop(v4,v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
endloop(v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
txphase(t4); decphase(zero);
rgpulse(2.0*pw_cp,t4,2.0e-6,2.0e-6);
txphase(one);
if(ncyc_cp == 1) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
if(ncyc_cp == 2) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
if(ncyc_cp > 2) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
initval(ncyc_cp-2,v4);
loop(v4,v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
endloop(v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
rgpulse(pw_cp,zero,0.0,0.0);
delay(2.0e-6);
rgradient('z',gzlvl5);
delay(gt5);
rgradient('z',0.0);
delay(250.0e-6);
obspower(tpwr);
rgpulse(pw,zero,4.0e-6,0.0);
decpower(d_reb);
delay(2.0e-6);
rgradient('z',gzlvl6);
delay(gt6);
rgradient('z',0.0);
delay(150.0e-6);
delay(taua - POWER_DELAY - gt6 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - 2.0*POWER_DELAY - gt6 - 152e-6);
rlpower(dpwr,DODEV); /* Set power for decoupling */
rlpower(dpwr2,DO2DEV); /* Set power for decoupling */
delay(2.0e-6);
rgradient('z',gzlvl6);
delay(gt6);
rgradient('z',0.0);
delay(150.0e-6);
rgpulse(pw,zero,0.0,0.0);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
cbdecseq[MAXSTR],
chirp_shp[MAXSTR], /* name of variable containing name of Pbox shape */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
sel_flg[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double d2_init=0.0, /* used for states tppi in t1 */
tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
cophase, /* phase correction for CO evolution */
caphase, /* phase correction for Ca evolution */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
pwS1, /* length of 90 on Ca */
pwS2, /* length of 90 on CO */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 180 on CO */
pwS5, /* CHIRP inversion pulse on CO and CA */
pwrS5=0.0, /* power of CHIRP pulse */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* ampl. compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0;
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("fscuba",fscuba);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
satpwr = getval("tsatpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
cophase = getval("cophase");
caphase = getval("caphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,1,phi3);
settable(t4,8,phi4);
settable(t5,4,phi5);
settable(t6,8,rec);
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co","ca","sinc",180.0);
/*this section creates the chirp pulse inverting both co and ca*/
/*Pcoca180 is the name of the shapelib file created */
/*chirp180 is a file produced by Pbox psg containing parameter values from shape*/
strcpy(chirp_shp,"Pcoca180");
if (FIRST_FID) /* make shape once */
chirp180 = pbox(chirp_shp, CHIRP180, CHIRP180ps, dfrq, compC*pwC, pwClvl);
pwrS5 = chirp180.pwr; /* get pulse power from file */
pwS5 = chirp180.pw; /* get pulse width from file */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t1,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1,1,4); tsadd(t5,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_CO/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN )*2.0*swTilt/cos_N))); psg_abort(1);}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
set_c13offset("co"); /* set Dec1 carrier at Co */
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 2.0e-6);
txphase(zero);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
delay(taua - gt1 - gstab - 2.0e-6);
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
decpower(pwrS5);
delay( zeta -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
decpower(pwrS5);
delay( zeta - 1.34e-3 - 2.0*pw -POWER_DELAY);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
delay(zeta - pwS5 - POWER_DELAY - 2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* t1 period for CO evolution */
c13pulse("co", "ca", "sinc", 90.0, t1, 0.0, 0.0);
if (!strcmp(fco180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(10.0e-6);
}
else
{
if (tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6 > 0.0)
{
delay(tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(cophase,v4);
dcplrphase(v4);
delay(tau1-2.0*pwS2/PI-pwN-SAPS_DELAY-WFG3_STOP_DELAY-POWER_DELAY-2.0e-6);
}
else
{
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t2 period for Ca evolution*/
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 0.0, 0.0);
if (!strcmp(fca180, "y"))
{
delay(10.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
delay(10.0e-6);
}
else
{
if (tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
-WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6 > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-WFG3_START_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau2-pwN-2.0*pwS1/PI-SAPS_DELAY-WFG3_STOP_DELAY-2*POWER_DELAY-
WFG_STOP_DELAY-WFG_START_DELAY-2.0e-6);
decoff();
decprgoff();
decstepsize(1.0);
initval(caphase,v5);
dcplrphase(v5);
decpower(pwClvl);
}
else
{
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
}
}
c13pulse("ca", "co", "square", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
decpower(pwrS5);
delay(bigTN - tau3 -POWER_DELAY);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshapedpulse(chirp_shp, pwS5, zero, 0.0, 0.0);
decpower(pwClvl);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
delay(bigTN - WFG_START_DELAY - pwS5 - WFG_STOP_DELAY
- gt5 - gstab - 2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, zero, 20.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwS1 - 20.0e-6 - pwS2 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
set_c13offset("co");
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(gstab);
txphase(one);
dec2phase(one);
delay(taub - gt6 - gstab);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(gstab);
delay(taub - gt7 - gstab);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(gstab);
delay(BigT1 - gt8/2.0 - gstab - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(gstab);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - gstab - 2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
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()
{
/* DECLARE VARIABLES */
char aliph[MAXSTR], /* aliphatic CHn groups only */
arom[MAXSTR], /* aromatic CHn groups only */
wudec[MAXSTR], /* automatic WURST decoupling */
CNrefoc[MAXSTR], /* flag for refocusing 15N during indirect H1 evolution */
SBSUPR[MAXSTR], /* flag for side-band suppression (use 8 step phase cycle) */
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /* magic angle gradient */
f2180[MAXSTR]; /* Flag to start t2 @ halfdwell */
int icosel, /* used to get n and p type */
PRexp, /* projection-reconstruction flag */
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double csa, sna, tau1, tau2, /* t1 and t2 delays */
bw, ofs, ppm, pwd, nst,
rfst = 0.0, /* fine power level for adiabatic pulse initialized */
slpwr = getval("slpwr"), /* spinlock power level */
slofs = getval("slofs"), /* spinlock offset (in Hz) from carrier frequency */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
pra = M_PI*getval("pra")/180.0,
jch = getval("jch"), /* CH coupling constant */
ni2 = getval("ni2"),
pwC = getval("pwC"), /* PW90 for 13C nucleus @ pwClvl */
pwClvl = getval("pwClvl"), /* high power for 13C hard pulses on dec1 */
pwC180 = getval("pwC180"), /* PW180 for 13C nucleus in INEPT transfers */
pwN = getval("pwN"), /* PW90 for 15N nucleus @ pwNlvl */
pwNlvl = getval("pwNlvl"), /* high power for 15N hard pulses on dec2 */
pwClw=getval("pwClw"),
pwNlw=getval("pwNlw"),
pwZlw=0.0, /* largest of pwNlw and 2*pwClw */
mix = getval("mix"), /* tocsy mix time */
sw1 = getval("sw1"), /* spectral width in t1 (H) */
sw2 = getval("sw2"), /* spectral width in t2 (C) */
gstab = getval("gstab"), /* gradient recovery delay (300 us recom.) */
gsign = 1.0,
gzcal = getval("gzcal"), /* dac to G/cm conversion factor */
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
/* LOAD VARIABLES */
getstr("aliph",aliph);
getstr("arom",arom);
getstr("wudec",wudec);
getstr("CNrefoc",CNrefoc);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("SBSUPR",SBSUPR);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,4,rec);
settable(t5,1,phi5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[C] == 'y' ))
{
printf("incorrect 13C decoupler flags! dm='nnnn' or 'nnny' only ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect 15N decoupler flags! No decoupling in relax or mix periods ");
psg_abort(1);
}
if( dpwr > 49 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( slpwr > 49.0 )
{
printf("dont fry the probe, spinlock strength too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 || gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 )
{
printf("gti values < 15e-3\n");
psg_abort(1);
}
if( gzlvl3*gzlvl4 > 0.0 )
if (phase1 == 2)
tsadd(t1,1,4);
if (phase2 == 1) {tsadd(t5,2,4); icosel = +1;}
else icosel = -1;
/* set up Projection-Reconstruction experiment */
PRexp = 0;
if((pra > 0.0) && (pra < 90.0)) PRexp = 1;
csa = cos(pra);
sna = sin(pra);
if(PRexp)
{
tau1 = d2*csa;
tau2 = d2*sna;
}
else
{
tau1 = d2;
tau2 = d3;
}
if((f1180[A] == 'y') && (ni > 1.0)) /* Set up f1180 tau1 = t1 */
tau1 += 1.0/(2.0*sw1);
tau1 = tau1/2.0;
if((PRexp == 0) && (f2180[A] == 'y') && (ni2 > 1.0)) /* Set up f2180 tau2 = t2 */
tau2 += 1.0/(2.0*sw2);
tau2 = tau2/2.0;
if(tau1 < 0.2e-7) tau1 = 2.0e-7;
/* 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(PRexp==0)
{
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t4,2,4); }
}
/* calculate 3db lower power hard pulses for simultaneous CN decoupling during
indirect H1 evoluion pwNlw and pwClw should be calculated by the macro that
calls the experiment. */
if (CNrefoc[A] == 'y')
{
if (pwNlw==0.0) pwNlw = compN*pwN*exp(3.0*2.303/20.0);
if (pwClw==0.0) pwClw = compC*pwC*exp(3.0*2.303/20.0);
if (pwNlw > 2.0*pwClw) pwZlw=pwNlw;
else pwZlw=2.0*pwClw;
}
/* make sure gt3 and gt1 have always opposite sign to help dephasing H2O */
if (gzlvl3*gzlvl1 > 0.0) gsign=-1.0;
else gsign=1.0;
ppm = getval("dfrq"); ofs = 0.0; nst = 1000; /* number of steps */
if(arom[A]=='y') /* AROMATIC spectrum only */
bw = 40.0*ppm;
else if(aliph[A]=='y') /* ALIPHATIC spectrum only */
bw = 80.0*ppm;
else
{
bw = 0.1/(pwC*compC); /* maximum bandwidth */
bw = pwC180*bw*bw;
}
if(FIRST_FID)
{
adC180 = pbox_makeA("adC180", "wurst2i", bw, pwC180, ofs, compC*pwC, pwClvl, nst);
wuHmix = pbox_Adec("adsl", "amwurst", 0.0, mix, slofs, 0.0, 0.0);
pwd = 0.0013;
if(wudec[A]=='y')
wuCdec = pbox_Adec("wurstC", "WURST40", bw, pwd, ofs, compC*pwC, pwClvl);
}
rfst = adC180.pwrf;
wuHmix.pwr = slpwr;
wuHmix.pwrf = 4095.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
presat();
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for decoupling during tau1 */
decpwrf(4095.0);
dec2pwrf(4095.0);
/* destroy N15 and C13 magnetization */
if (CNrefoc[A] == 'y') dec2rgpulse(pwN, zero, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
if (CNrefoc[A] == 'y') dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
decphase(zero);
dec2phase(zero);
rcvroff();
delay(gstab);
status(B);
rgpulse(pw, t1, rof1 ,rof1); /* 90 deg 1H pulse */
txphase(zero);
if (ni > 0)
{
if ((CNrefoc[A]=='y') && (tau1 > pwZlw +2.0*pw/PI +3.0*SAPS_DELAY +2.0*POWER_DELAY +2.0*rof1))
{
decpower(pwClvl-3.0); dec2power(pwNlvl-3.0);
delay(tau1 -pwNlw -2.0*pw/PI -3.0*SAPS_DELAY -2.0*POWER_DELAY -2.0*rof1);
if (pwNlw > 2.0*pwClw)
{
dec2rgpulse(pwNlw -2.0*pwClw,zero,rof1,0.0);
sim3pulse(0.0,pwClw,pwClw,zero,zero,zero,0.0,0.0);
decphase(one);
sim3pulse(0.0,2*pwClw,2*pwClw,zero,one,zero,0.0,0.0);
decphase(zero);
sim3pulse(0.0,pwClw,pwClw,zero,zero,zero,0.0,0.0);
dec2rgpulse(pwNlw -2.0*pwClw,zero,0.0,rof1);
}
else
{
decrgpulse(2.0*pwClw-pwNlw,zero,rof1,0.0);
sim3pulse(0.0,pwNlw-pwClw,pwNlw-pwClw,zero,zero,zero,0.0,0.0);
decphase(one);
sim3pulse(0.0,2.0*pwClw,2.0*pwClw,zero,one,zero,0.0,0.0);
decphase(zero);
sim3pulse(0.0,pwNlw-pwClw,pwNlw-pwClw,zero,zero,zero,0.0,0.0);
decrgpulse(2.0*pwClw-pwNlw,zero,0.0,rof1);
}
decpower(pwClvl); dec2power(pwNlvl);
delay(tau1 -pwZlw -2.0*pw/PI -SAPS_DELAY -2.0*POWER_DELAY -2.0*rof1);
}
else if (tau1 > 2.0*pwC +2.0*pw/PI +3.0*SAPS_DELAY +2.0*rof1)
{
delay(tau1 -2.0*pwC -2.0*pw/PI -3.0*SAPS_DELAY -2.0*rof1);
decrgpulse(pwC, zero, rof1, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.0, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.0, rof1);
delay(tau1 -2.0*pwC -2.0*pw/PI -SAPS_DELAY -2.0*rof1);
}
else if (tau1 > 2.0*pw/PI +2.0*SAPS_DELAY +rof1)
delay(2.0*tau1 -4.0*pw/PI -2.0*SAPS_DELAY -2.0*rof1);
}
rgpulse(pw, zero, rof1, rof1); /* 2nd 1H 90 pulse */
status(C);
zgradpulse(gzlvl0,gt0);
delay(gstab);
obspower(slpwr);
xmtron();
obsprgon(wuHmix.name, 1.0/wuHmix.dmf, wuHmix.dres);
delay(mix);
obsprgoff(); xmtroff();
decrgpulse(pwC,zero,2.0e-6,2.0e-6);
zgradpulse(-gzlvl0,gt0);
obspower(tpwr);
decpwrf(rfst); /* fine power for inversion pulse */
delay(gstab);
/* FIRST HSQC INEPT TRANSFER */
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(1/(4.0*jch) -gt4 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -pwC180*0.45);
simshaped_pulse("","adC180",2*pw,pwC180,zero,zero,0.0,0.0);
decphase(zero);
zgradpulse(gzlvl4, gt4);
decpwrf(4095.0);
txphase(one);
delay(1/(4.0*jch) -gt4 -2.0*GRADIENT_DELAY -pwC180*0.45 -PWRF_DELAY -SAPS_DELAY);
rgpulse(pw,one,0.0,0.0);
zgradpulse(gsign*gzlvl3, gt3);
txphase(zero);
delay(gstab);
/* C13 EVOLUTION */
decrgpulse(pwC,t2,0.0,0.0);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau2);
decphase(zero);
delay(gt1 +2.0*GRADIENT_DELAY +gstab -2.0*pw -SAPS_DELAY);
decrgpulse(2*pwC,zero,0.0,0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1);
decphase(t5);
delay(gstab);
decrgpulse(pwC,t5,0.0,0.0);
delay(pw);
rgpulse(pw,zero,0.0,0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(1/(8.0*jch) -gt5 -SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */
decrgpulse(2.0*pwC,zero,0.0,2.0e-6);
rgpulse(2.0*pw,zero,0.0,0.0);
zgradpulse(gzlvl5, gt5);
decphase(one);
txphase(one);
delay(1/(8.0*jch) -gt5 -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */
delay(pwC);
decrgpulse(pwC,one,0.0,2.0e-6);
rgpulse(pw,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
decpwrf(rfst); /* fine power for inversion pulse */
decphase(zero);
txphase(zero);
delay(1/(4.0*jch) -gt6 -pwC180*0.45 -PWRF_DELAY
-WFG2_START_DELAY -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */
simshaped_pulse("","adC180",2*pw,pwC180,zero,zero,0.0,0.0);
decphase(zero);
zgradpulse(gzlvl6, gt6);
decpwrf(4095.0);
delay(1/(4.0*jch) -gt6 -pwC180*0.45 -PWRF_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */
rgpulse(pw,zero,0.0,0.0);
if (SBSUPR[A]=='y') delay(gt2 +gstab +2.0*GRADIENT_DELAY +2.0*pwC
+SAPS_DELAY +rof2 +POWER_DELAY);
else delay(gt2 +gstab +2.0*GRADIENT_DELAY +POWER_DELAY);
rgpulse(2*pw,zero,0.0,0.0);
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt2);
else zgradpulse(icosel*gzlvl2, gt2);
delay(gstab);
if (SBSUPR[A]=='y') {
decrgpulse(pwC,zero,0.0,0.0);
decphase(t3);
decrgpulse(pwC,t3,0.0,rof2);
}
setreceiver(t4);
rcvron();
if ((wudec[A]=='y') && (dm[D] == 'y'))
{
decpower(wuCdec.pwr+3.0);
decprgon("wurstC", 1.0/wuCdec.dmf, wuCdec.dres);
decon();
}
else
{
decpower(dpwr);
status(D);
}
}
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);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t3 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
d2_init=0.0, /* used for states tppi in t1 */
bigTN, /* nitrogen T period */
bigTC, /* carbon T period */
BigT1, /* delay about 200 us */
satpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
at,
sphase,
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
pwS1, /* length of 90 on Ca */
pwS2, /* length of 90 on CO */
pwS3, /* length of 180 on Ca */
pwS4, /* length of 180 on CO */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
waltzB1 = getval("waltzB1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0;
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fscuba",fscuba);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
bigTC = getval("bigTC");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
satpwr = getval("satpwr");
dpwr = getval("dpwr");
sw1 = getval("sw1");
sw2 = getval("sw2");
at = getval("at");
sphase = getval("sphase");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
kappa = 5.4e-3;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,4,phi2);
settable(t3,1,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t7,4,phi7);
settable(t6,4,rec);
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS3 = c13pulsepw("ca","co","square",180.0);
pwS4 = c13pulsepw("co","ca","sinc",180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
widthHd = 2.681*waltzB1/sfrq; /* bandwidth of H1 WALTZ16 decoupling */
pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'n'))
{
printf("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 47 )
{
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( gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3
|| gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3 || gt10 > 15.0e-3
|| gt11>15.0e-3)
{
printf("gti values must be < 15e-3\n");
psg_abort(1);
}
if( dpwr3 > 56) {
printf("dpwr3 too high\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_CO:\t%6.2f\n", angle_CO);
printf ("Angle_Ca:\t%6.2f\n", angle_Ca);
printf ("Angle_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t1,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t7,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t4,3,4); } /* CS */
else if (phase1 == 4) { tsadd(t7,1,4); tsadd(t4,3,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t3,2,4); icosel = +1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_CO/swTilt;
tau2 = 1.0*t1_counter*cos_Ca/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS3 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS3)*2.0*swTilt/cos_N))); psg_abort(1);}
if (bigTC - 0.5*ni*(cos_Ca/swTilt) - pwS4
- pwS3/2 - WFG3_START_DELAY - WFG3_STOP_DELAY
-3*POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY -
4.0e-6 < 0.2e-6)
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTC - pwS4 - pwS3/2 - WFG3_START_DELAY -
WFG3_STOP_DELAY - 3*POWER_DELAY - PRG_START_DELAY -
PRG_STOP_DELAY -4.0e-6 )/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for hard 15N pulses */
dec2pwrf(4095.0);
set_c13offset("ca");
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(three);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
shiftedpulse("sinc", pwHs, 90.0, 0.0, three, 2.0e-6, 2.0e-6);
txphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one); dec2phase(zero); decphase(zero);
delay(taua - gt1 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(200.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CA TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,one,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(kappa - POWER_DELAY - PWRF_DELAY - pwHd - 4.0e-6 - PRG_START_DELAY);
/* delays for h1waltzon subtracted */
h1waltzon("WALTZ16", widthHd, 0.0);
decphase(zero);
dec2phase(zero);
delay(tauc - kappa - WFG3_START_DELAY );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
dec2phase(zero);
delay(tauc - pwS3);
dec2rgpulse(pwN,zero,0.0,0.0);
h1waltzoff("WALTZ16", widthHd, 0.0);
decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(200.0e-6);
/* xxxxxxxxxxxxxxxxxxxxx 13CA to 13CO TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(taud - 2*POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- 0.5*10.933*pwC);
decoff();
decprgoff();
decpower(pwClvl);
/* CHECK if this freq jump is needed */
set_c13offset("co"); /* change Dec1 carrier to Co */
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Co */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(taud - 2*POWER_DELAY
- PRG_STOP_DELAY - PRG_START_DELAY - 0.5*10.933*pwC);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("ca", "co", "square", 90.0, one, 0.0, 0.0);
set_c13offset("co"); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4, gt4);
delay(100.0e-6);
/* xxxxxxxxxxxxxxxx 13CO CHEMICAL SHIFT EVOLUTION xxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t7, 0.0, 0.0);
if ((ni>1.0) && (tau1>0.0))
{
if (tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6 > 0.0)
{
delay(tau1-2.0*pwS2/PI-pwN-WFG3_START_DELAY-POWER_DELAY-2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
delay(tau1-2.0*pwS2/PI-SAPS_DELAY-pwN-WFG3_STOP_DELAY-POWER_DELAY-2.0e-6);
}
else
{
delay(2.0*tau1);
delay(10.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay (10.0e-6);
}
}
else
{
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
}
c13pulse("co", "ca", "sinc", 90.0, zero, 4.0e-6, 0.0);
dcplrphase(zero);
set_c13offset("ca"); /* set carrier to Ca */
decphase(t4);
delay(2.0e-7);
zgradpulse(gzlvl9, gt9);
delay(100.0e-6);
/* xxxxxxxxxxxxxx 13CO to 13CA TRANSFER and 13CA EVOLUTION xxxxxxxxxxxxxxxx */
c13pulse("ca", "co", "square", 90.0, t4, 2.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTC - tau2 - 3*POWER_DELAY - 4.0e-6 - WFG3_START_DELAY
- pwS4 - WFG3_STOP_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- pwS3/2 - 4.0e-6);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("co", "ca", "sinc", 180.0, zero, 4.0e-6, 0.0);
decphase(t5);
c13pulse("ca", "co", "square", 180.0, t5, 4.0e-6, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTC -3*POWER_DELAY - 6.0e-6 -pwS3/2 - 2*pwN
- WFG_START_DELAY- pwS4- WFG_STOP_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY - pwS1/2);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau2);
decoff();
decprgoff();
decpower(pwClvl);
c13pulse("co", "ca", "sinc", 180.0, zero, 4.0e-6, 0.0);
decphase(one);
c13pulse("ca", "co", "square", 90.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl11, gt11);
delay(100.0e-6);
/* Constant 15N period */
h1waltzon("WALTZ16", widthHd, 0.0);
dec2rgpulse(pwN,t1,2.0e-6,0.0);
dec2phase(t2);
delay(bigTN - tau3 + pwS3);
dec2rgpulse(2*pwN,t2,0.0,0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
dec2phase(t3);
txphase(zero);
if (tau3 > (kappa + PRG_STOP_DELAY + pwHd + 2.0e-6))
{
delay(bigTN - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6 - POWER_DELAY
- PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else if (tau3 > (kappa - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6))
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(kappa - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else if (tau3 > gt5 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - tau3 - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5);
delay(1.0e-4);
}
else
{
delay(bigTN + tau3 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6
- POWER_DELAY - PWRF_DELAY);
h1waltzoff("WALTZ16", widthHd, 0.0);
delay(kappa - tau3 - pwS4 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6 - gt5 - 2.0*GRADIENT_DELAY - 1.0e-4);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(1.0e-4);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tau3);
}
sim3pulse(pw,0.0,pwN,zero,zero,t3,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
rgpulse(pw, zero, 0.0, 0.0);
delay(gt8 + 1.0e-4 + 50.2e-6 - 0.3*pw + 2.0*GRADIENT_DELAY
+ POWER_DELAY);
rgpulse(2*pw,zero,0.0,0.0);
dec2power(dpwr2);
decpower(dpwr);
zgradpulse(icosel*gzlvl8, gt8);
delay(50.2e-6);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
void pulsesequence()
{
char codec[MAXSTR], codecseq[MAXSTR];
int icosel, t1_counter;
double d2_init = 0.0,
rf0 = 4095, rf200, pw200,
copwr, codmf, cores, copwrf,
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
compC = getval("compC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
sw1 = getval("sw1"),
swH = getval("swH"),
swC = getval("swC"),
swN = getval("swN"),
swTilt,
angle_H = getval("angle_H"),
angle_C = getval("angle_C"),
angle_N,
cos_H,
cos_C,
cos_N,
mix = getval("mix"),
tauCH = getval("tauCH"), /* 1/4JCH */
tauNH = getval("tauNH"), /* 1/4JNH */
tau1, tau2, tau3,
tofali =getval("tofali"), /* aliphatic protons offset */
dofcaco =getval("dofcaco"), /* offset for caco decoupling, ~120 ppm */
dof = getval("dof"),
gstab = getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9");
/* LOAD VARIABLES */
copwr = getval("copwr"); copwrf = getval("copwrf");
codmf = getval("codmf"); cores = getval("cores");
getstr("codecseq", codecseq); getstr("codec", codec);
/* Load phase cycling variables */
settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 1, phi3);
settable(t4, 8, phi4); settable(t5, 1, phi5); settable(t14, 2, phi14);
settable(t11, 8, rec);
angle_N=0.0; cos_N=0.0;
/* activate auto-calibration flags */
setautocal();
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
pw200 = getval("pw200");
rf200 = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rf200 = (int) (rf200 + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1); }
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(codecseq,"Pdec_154p");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000;
/* 1 ms long pulse, nst: number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
bw=20.0*ppm; ofs=154*ppm;
Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl);
}
rf200 = stC200.pwrf; pw200 = stC200.pw;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{ printf("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ printf("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if ((dpwr > 48) || (dpwr2 > 48))
{ printf("don't fry the probe, dpwr too high! "); psg_abort(1); }
/* set up angles for PR42 experiments */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_H < 0 || angle_C < 0 || angle_H > 90 || angle_C > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180); cos_C = cos (PI*angle_C/180);
if ( (cos_H*cos_H + cos_C*cos_C) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_N = sqrt(1 - (cos_H*cos_H + cos_C*cos_C) ); angle_N = acos(cos_N)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); }
swTilt = swH*cos_H + swC*cos_C + swN*cos_N;
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t1, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t2, 1, 4); tsadd(t14,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1, 1, 4); tsadd(t2,1,4); tsadd(t14,1,4); } /* SS */
if ( phase2 == 1 ) { tsadd(t5,2,4); icosel = 1; }
else icosel = -1;
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau3 = 1.0 * t1_counter * cos_N / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 =tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_H: %5.2f \n", angle_H);
printf ("Angle_C: %5.2f \n", angle_C);
printf ("Angle_N: %5.2f \n", angle_N);
printf ("\n\n\n\n\n");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tofali); obspower(tpwr); obspwrf(4095.0);
decoffset(dof); decpower(pwClvl); decpwrf(rf0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,10.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
}
txphase(t1); decphase(t2); dec2phase(zero);
status(B);
rgpulse(pw,t1,4.0e-6,2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(2.0*tauCH - gt3 - 2.0*GRADIENT_DELAY -4.0e-6);
decrgpulse(pwC,t2,2.0e-6,2.0e-6);
decphase(zero);
/*======= Start of c13 evolution ==========*/
if ( ((tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6)> 0)
&& ((tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6)>0)
&& (codec[A] == 'y') )
{
decpower(copwr); decpwrf(copwrf);
decprgon(codecseq,1/codmf,cores);
decon();
delay(tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6);
decoff();
decprgoff();
}
else if ( (tau2 -pwN - 2.0*pwC/PI -2.0e-6) > 0)
{
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
}
else
{
delay(2.0*tau2);
decphase(t14);
delay(4.0e-6);
sim3pulse(2.0*pw, 2.0*pwC, 2.0*pwN, t1, t14, zero, 0.0, 0.0);
delay(4.0e-6);
}
decpower(pwClvl);
decpwrf(rf0);
decphase(zero);
/*======= End of c13 evolution ==========*/
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(2.0*tauCH + tau1 - gt3 - 4.0*pwC
- gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
/* ===========Beginning of NOE transfer ======= */
delay(mix - gt4 - gt5 - pwN -pwC - 2.0*gstab);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(gstab);
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
/* H2O relaxes back to +z */
/* =========== End of NOE transfer ======= */
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(tauNH - gt6 - 4.0e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt6 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(gstab);
rgpulse(pw,one,2.0e-6,2.0e-6);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco); /* offset on 120ppm for CaCO decoupling */
decpwrf(rf200); /* fine power for stC200 */
delay(gstab);
dec2rgpulse(pwN,t3,2.0e-6,2.0e-6);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
decshaped_pulse("stC200", 1.0e-3, zero, 2.0e-6, 2.0e-6);
delay(tau3);
delay(gt1 +gstab +8.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 2.0e-6, 2.0e-6);
dec2phase(t5);
zgradpulse(gzlvl1, gt1);
delay(gstab + WFG_START_DELAY + WFG_STOP_DELAY - 2.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 2.0e-6, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(tauNH - gt8 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt8 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(one);
delay(gstab);
sim3pulse(pw, 0.0, pwN, one, zero, one, 2.0e-6, 2.0e-6);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -gstab -4.0e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
delay((gt1/10.0) +gstab -2.0e-6 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
void pulsesequence()
{
double base,
corr,
presat,
qlvl;
char sspul[MAXSTR];
/* LOAD VARIABLES AND CHECK CONDITIONS */
presat = getval("presat");
qlvl = getval("qlvl");
getstr("sspul", sspul);
base = 180.0 / qlvl;
initval(2.0 * qlvl, v5);
if ((rof1 < 9.9e-6) && (ix == 1))
fprintf(stdout,"Warning: ROF1 is less than 10 us\n");
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR)
or off of CT */
ifzero(ssctr);
modn(ct, v5, v10);
divn(ct, v5, v12);
mod2(ct, v9);
elsenz(ssctr);
sub(ssval, ssctr, v14); /* v14 = 0,...,ss-1 */
modn(v14, v5, v10);
divn(v14, v5, v12);
mod2(v14, v9);
endif(ssctr);
/* CALCULATE PHASECYCLE */
/* The phasecycle first performs a (2*Q)-step cycle on the third pulse in order
to select for MQC. The phasecycle is then adjusted so that the receiver
goes +- in an alternating fashion. Second, the 2-step QIS cycle is added
in. Third, a 2-step cycle for axial peak suppression is performed on the
first pulse. */
assign(v12, v1);
mod2(v12, v12); /* v12=quad. image suppression */
hlv(v1, v1);
mod2(v1, v1);
dbl(v1, v1);
add(v1, v12, v4);
add(v12, v1, v1);
assign(v12, v2);
assign(v12, v3);
dbl(v9, v9);
add(v9, v4, v4);
assign(v4, oph);
if (phase1 == 2)
incr(v1);
if (phase1 == 3) /* TPPI */
add(id2, v1, v1);
/* FAD added for phase=1 or phase=2 */
if ((phase1 == 1) || (phase1 == 2))
{
initval(2.0*(double)(d2_index%2),v13);
add(v1,v13,v1); add(oph,v13,oph);
}
/* BEGIN ACTUAL PULSE SEQUENCE CODE */
if (newtrans)
obsstepsize(base);
status(A);
if (sspul[0] == 'y')
{
hsdelay(hst + 0.001);
rgpulse(pw, v1, 1.0e-6, 1.0e-6);
hsdelay(hst + 0.001);
}
if ((d1 - presat) <= hst)
{
rcvroff();
decon();
hsdelay(presat);
decoff();
delay(1.0e-6);
rcvron();
}
else
{
hsdelay(d1 - presat);
decon();
rcvroff();
delay(presat);
decoff();
delay(1.0e-6);
rcvron();
}
status(B);
if (newtrans)
xmtrphase(v10); /* hardware digital phaseshift */
rgpulse(pw, v1, rof1, 1.0e-6);
corr = 1.0e-6 + rof1 + 4.0*pw/3.1416;
if (d2 > corr)
delay(d2-corr);
rgpulse(pw, v2, rof1, 0.0);
if (newtrans)
{
xmtrphase(zero); /* resets relative phase to absolute phase */
}
else
{
phaseshift(-base, v10, OBSch); /* software small-angle phaseshift */
}
rgpulse(pw, v3, 1.0e-6, rof2);
status(C);
}
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 AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f2180[MAXSTR],
cbdec[MAXSTR],
cbdecseq[MAXSTR]; /* shape for selective CB inversion */
int t1_counter, t2_counter,
ni = getval("ni"), ni2 = getval("ni2");
double
d2_init=0.0, d3_init=0.0,
tau1, tau2, tau3, /* t1,t2,t3 delay */
t1a, t1b, t1c, sheila_1,
t2a, t2b, t2c, sheila_2,
tauCH = getval("tauCH"), /* 1/4J delay for CH */
tauCH_1,
timeTN = getval("timeTN"), /* ~ 12 ms for N evolution and 1JNCa transfer */
epsilon = 1.05e-3, /* 0.7*1/4J delay for CHn */
epsilon_1,
tauCaCO = getval("tauCaCO"), /* 1/4J delay for CaCO, 4.5ms */
tauNCO = getval("tauNCO"), /* 1/4J delay for NCO, 17.0ms */
Hali_offset = getval("Hali_offset"),
cbpwr, /* power level for selective CB inversion */
cbdmf, /* pulse width for selective CB inversion */
cbres,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
dpwr2 = getval("dpwr2"), /* power for N15 decoupling */
swH = getval("swH"), swC = getval("swC"), swTilt,
angle_H = getval("angle_H"), angle_C, cos_H, cos_C,
pwCa90,
pwCa180, /* length of square 180 on Ca */
pwCO90,
pwCO180, /* length of sinc 180 on CO */
pwZ,
phi7cal = getval("phi7cal"), /* small phase correction for 90 CO pulse */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 decoupling on Cab */
waltzB1 = getval("waltzB1"), /* H1 decoupling strength in Hz for DIPSI-2 */
sw1 = getval("sw1"), sw2 = getval("sw2"),
gstab= getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9");
getstr("f2180",f2180);
widthHd = 2.069*(waltzB1/sfrq); /* produces same B1 as gc_co_nh.c */
cbpwr = getval("cbpwr"); cbdmf = getval("cbdmf"); cbres = getval("cbres");
getstr("cbdecseq", cbdecseq); getstr("cbdec", cbdec);
/* LOAD PHASE TABLE */
settable(t2,1,phx); settable(t3,2,phi3); settable(t4,1,phx);
settable(t8,1,phx); settable(t9,8,phi9); settable(t10,1,phx);
settable(t11,1,phy); settable(t12,4,rec);
/* INITIALIZE VARIABLES */
kappa = 5.4e-3; lambda = 2.4e-3;
/* get calculated pulse lengths of shaped C13 pulses */
pwCa90 = c13pulsepw("ca", "co", "square", 90.0);
pwCa180 = c13pulsepw("ca", "co", "square", 180.0);
pwCO90 = c13pulsepw("co", "ca", "sinc", 90.0);
pwCO180 = c13pulsepw("co", "ca", "sinc", 180.0);
/* pwZ: the bigger of pwN*2.0 and pwCa180 */
if (pwN*2.0 > pwCa180) pwZ=pwN*2.0; else pwZ=pwCa180;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq"); psg_abort(1);}
/**********************************************************************/
/* Calculate t1_counter from sw1 as a generic control of the sequence */
/* Make sure sw1 is not zero */
/**********************************************************************/
angle_C = 90.0 - angle_H;
if ( (angle_H < 0) || (angle_H > 90) )
{ printf ("angle_H must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( sw1 < 1.0 )
{ printf ("Please set sw1 to a non-zero value.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180);
cos_C = cos (PI*angle_C/180);
swTilt = swH * cos_H + swC * cos_C;
if (ix ==1)
{
printf("\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("PR(4,3)D intra_cbd_hccnh\n");
printf ("Set ni2=1, phase=1,2,3,4 and phase2=1,2 \n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Angle_H:\t%6.2f degree \t\tAngle_C:\t%f degree\n", angle_H, angle_C);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t2, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t3, 1, 4); } /* CS */
else if (phase1 == 4) { tsadd(t2, 1, 4); tsadd(t3,1,4); } /* SS */
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t12,2,4); }
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0;
if (ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if (t2_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); }
/* Set up f2180 */
tau3 = d3;
if ((f2180[A] == 'y') && (ni2 > 1.0))
{ tau3 += ( 1.0 / (2.0*sw2) ); if(tau3 < 0.2e-6) tau3 = 0.0; }
tau3 = tau3/2.0;
/* Hyperbolic sheila_1 seems superior */
tauCH_1 = tauCH - gt3 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*swTilt/cos_H) > 2.0*tauCH_1)
{
if (tau1 > 2.0*tauCH_1) sheila_1 = tauCH_1;
else if (tau1 > 0) sheila_1 = 1.0/(1.0/tau1+1.0/tauCH_1 - 1.0/(2.0*tauCH_1));
else sheila_1 = 0.0;
}
else
{
if (tau1 > 0) sheila_1 = 1.0/(1.0/tau1 + 1.0/tauCH_1 - 2.0*swTilt/cos_H/((double)(ni-1)));
else sheila_1 = 0.0;
}
/* The following check fixes the phase distortion of certain tilts */
if (sheila_1 > tau1) sheila_1 = tau1;
if (sheila_1 > tauCH_1) sheila_1 =tauCH_1;
t1a = tau1 + tauCH_1;
t1b = tau1 - sheila_1;
t1c = tauCH_1 - sheila_1;
/* subtract unavoidable delays from epsilon */
epsilon_1 = epsilon - pwCO180 - WFG_START_DELAY - 4.0e-6 - POWER_DELAY
- PWRF_DELAY - gt5 - 2.0*GRADIENT_DELAY - 5.0e-5;
if ((ni-1)/(2.0*swTilt/cos_C) > 2.0*epsilon_1)
{
if (tau2 > 2.0*epsilon_1) sheila_2 = epsilon_1;
else if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2+1.0/epsilon_1 - 1.0/(2.0*epsilon_1));
else sheila_2 = 0.0;
}
else
{
if (tau2 > 0) sheila_2 = 1.0/(1.0/tau2 + 1.0/epsilon_1 - 2.0*swTilt/cos_C/((double)(ni-1)));
else sheila_2 = 0.0;
}
/* The following check fixes the phase distortion of certain tilts */
if (sheila_2 > tau2) sheila_2 = tau2;
if (sheila_2 > epsilon_1) sheila_2 = epsilon_1;
t2a = tau2;
t2b = tau2 - sheila_2;
t2c = epsilon_1 - sheila_2;
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tof - Hali_offset); obspower(tpwr); obspwrf(4095.0);
set_c13offset("gly"); decpower(pwClvl); decpwrf(4095.0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
txphase(t2); delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
delay(gstab);
rgpulse(pw, t2, 0.0, 0.0); /* 1H pulse excitation */
/* point a */
txphase(zero);
decphase(zero);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t1a - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
delay(t1b);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3); /* 2.0*GRADIENT_DELAY */
txphase(one);
delay(gstab);
delay(t1c);
/* point b */
rgpulse(pw, one, 0.0, 0.0);
obsoffset(tof);
zgradpulse(gzlvl4, gt4);
decphase(t3);
delay(gstab);
decrgpulse(pwC, t3, 0.0, 0.0);
decphase(zero);
delay(t2a);
/* WFG_START_DELAY+POWER_DELAY+PWRF_DELAY */
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(epsilon_1 - 2.0*pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(t2b);
c13pulse("gly", "co", "square", 180.0, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5); /* 2.0*GRADIENT_DELAY */
delay(gstab);
delay(t2c);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0);
delay(2.0*pwC/PI); /* Compensation for pwC */
delay(WFG_START_DELAY+PWRF_DELAY + POWER_DELAY);
decrgpulse(0.5e-3, zero, 2.0e-6, 0.0); /* 0.5 ms trim(X) pulse */
c13decouple("gly", "DIPSI3", 120.0, ncyc); /* PRG_STOP_DELAY */
/* ========= Begin Ca(i)x --> Ca(i)zN(i)z ================*/
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6 - PRG_START_DELAY
- 2*PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY );
decoff();
decprgoff();
}
else
{ delay(tauCaCO*2.0 - pwCO90*0.6366 - 2.0e-6
- PRG_STOP_DELAY - WFG_START_DELAY - POWER_DELAY - PWRF_DELAY );
}
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 2.0e-6);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- WFG_START_DELAY - WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);
decoff();
decprgoff();
}
else
{
zgradpulse(gzlvl6, gt6);
delay(gstab);
delay(tauNCO - pwCO90*0.6366 - pwCO180 - pwZ/2.0 - 8.0e-6
- gt6 - gstab - 2.0*GRADIENT_DELAY - WFG_START_DELAY
- WFG3_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- 2*WFG_START_DELAY - 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);
decoff();
decprgoff();
}
else
{
zgradpulse(gzlvl6, gt6);
delay(gstab);
delay(tauNCO - pwZ/2.0 - pwCO180 - pwCO90*0.6366 - 8.0e-6
- gt6 - gstab - 2.0*GRADIENT_DELAY - 2*WFG_START_DELAY
- 4.0*POWER_DELAY - 4.0*PWRF_DELAY - SAPS_DELAY);
}
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 2.0e-6); /* BSP */
initval(phi7cal, v7); decstepsize(1.0);
decphase(one); dcplrphase(v7); /* SAPS_DELAY */
c13pulse("co", "ca", "sinc", 90.0, one, 2.0e-6, 2.0e-6);
dcplrphase(zero);
if (cbdec[A] == 'y')
{ decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
- PRG_START_DELAY - PRG_STOP_DELAY
- WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
decoff();
decprgoff();
}
else
{ delay(tauCaCO*2.0 -pwCO90*0.6366 - pwCa90*0.6366 - 4.0e-6
- WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
}
decphase(one);
c13pulse("ca", "co", "square", 90.0, one, 2.0e-6, 2.0e-6);
/* ========= End Ca(i)x --> Ca(i)zN(i)z ================*/
zgradpulse(gzlvl7, gt7);
delay(gstab);
h1decon("DIPSI2", widthHd, 0.0);
/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
/* xxxxxxxxxxxx TRIPLE RESONANCE NH EVOLUTION & SE TRAIN xxxxxxxxxxxx */
dec2rgpulse(pwN, t8, 2.0e-6, 2.0e-6);
decphase(zero); dec2phase(t9);
delay(timeTN - WFG3_START_DELAY - tau3);
/* WFG3_START_DELAY */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, t9, 2.0e-6, 2.0e-6);
dec2phase(t10);
if (tau3 > kappa + PRG_STOP_DELAY)
{
delay(timeTN - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0*PWRF_DELAY - 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3 - kappa - PRG_STOP_DELAY - POWER_DELAY - PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > (kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0e-6))
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero); /* WFG_START_DELAY + 2.0*POWER_DELAY */
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(kappa - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 1.0e-6 - gt1
- 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else if (tau3 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
}
else
{
delay(timeTN + tau3 - kappa -PRG_STOP_DELAY -POWER_DELAY -PWRF_DELAY);
h1decoff(); /* POWER_DELAY+PWRF_DELAY+PRG_STOP_DELAY */
txphase(zero);
delay(kappa - tau3 - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY
- 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab);
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(gstab);
c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /* pwCO180 */
delay(tau3);
}
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(lambda - 1.3*pwN - gt8);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(t11);
delay(lambda - 1.3*pwN - gt8);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(lambda - 1.3*pwN - gt9);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl9, gt9);
delay(lambda - 0.65*(pw + pwN) - gt9);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 - 0.3*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
delay(1.0e-4);
rgpulse(2.0*pw, zero, 0.0, 0.0);
dec2power(dpwr2); /* POWER_DELAY */
zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
statusdelay(C, gstab);
setreceiver(t12);
}
pulsesequence()
{
/* declare new variables */
double dutycycle,
timeoff,
cntct,
pcrho,
pdpd2,
p180,
pwx,
srate,
crossp,
dipolr,
tpwrm,
rof2init,
d2init,
qpshft,
lvlshft,
ltoss,
lpdp,
lrof2;
char pdp[MAXSTR],
toss[MAXSTR],
xpol[MAXSTR];
/* set variables */
cntct = getval("cntct");
p180 = getval("p180");
pcrho = getval("pcrho");
at = getval("at");
crossp = getval("crossp");
dipolr = getval("dipolr");
tpwrm = getval("tpwrm");
pwx = getval("pwx");
srate = getval("srate");
rof2init = getval("rof2");
d2init = getval("d2");
pdpd2 = getval("pdpd2");
getstr("xpol", xpol);
getstr("pdp", pdp);
getstr("toss", toss);
/*adjust for propagation delays in the sequence*/
qpshft = 1.0e-6;
lvlshft = 2.4e-6;
ltoss = 0.0;
lpdp = 0.0;
lrof2 = 0.0;
if (pdp[0]=='y')
{
lpdp = lpdp + lvlshft;
}
else
{
if (toss[0]=='y')
{
ltoss = ltoss + lvlshft;
}
else
{
lrof2 = lrof2 + lvlshft;
}
}
/*adjust the rof2 delay and the d2 delay*/
rof2 = rof2init - lrof2;
if (rof2 < 0.0) rof2 = 0.0;
if (p180 > 0.0)
{
d2 = d2init - rof1;
if (d2 < 0.0) d2 = 0.0;
}
/*set spin rate abort conditions for the sequence*/
if (toss[0]=='y')
{
if (((0.0773 / srate) - 2.0 * pwx - qpshft) < 0.0)
{
fprintf(stdout, "spin rate is too fast for TOSS!\n");
psg_abort(1);
}
}
if (pdp[0]=='y')
{
if (((1.0 / srate) - pwx - pdpd2 - qpshft - lpdp) < 0.0)
{
fprintf(stdout, "pdpd2 is too long for spin rate!\n");
psg_abort(1);
}
}
if (((toss[0] == 'y') || (pdp[0] == 'y')) && (srate < 500.0))
{
fprintf(stdout, "spin rate is too low for toss or dipolar dephasing!\n");
psg_abort(1);
}
/*set abort conditions for high dutycycle and dm='y'*/
dutycycle = cntct + pcrho + pw + d1 + at;
timeoff = d1;
if (dm[2] != 'y') timeoff = timeoff + at;
if (p180 > 0.0)
{
dutycycle = dutycycle + d2 + p180;
timeoff = timeoff + d2;
}
if (toss[0] == 'y')
{
dutycycle = dutycycle + 2.142/srate;
if (dm[2] != 'y') timeoff = timeoff + 2.142/srate - 8*pwx;
}
if (pdp[0] == 'y')
{
dutycycle = dutycycle + 2.0/srate;
timeoff = timeoff + pdpd2;
}
dutycycle = timeoff/dutycycle;
if ((dutycycle < 0.8) || (dm[0] == 'y'))
{
fprintf(stdout, "Duty cycle is %5.2f%%.\n", (1.0 - dutycycle) * 100.0);
fprintf(stdout, "ABORT! The duty cycle must be less than 20%%.\n");
psg_abort(1);
}
/*begin pulse sequence*/
if (xpol[0] == 'n')
{
settable(t1,4,table1);
settable(t3,4,table3);
settable(t4,4,table4);
status(A);
setreceiver(t1);
obs_pw_ovr(TRUE);
dec_pw_ovr(TRUE);
declvloff();
decpwrf(dipolr);
obspwrf(tpwrm);
delay(d1);
if(p180 > 0.0)
{
decoff();
if (dm[1] == 'y') decon();
rgpulse(p180, zero, rof1, 0.0);
delay(d2);
}
rcvroff();
rgpulse(pw, t1,rof1, 0.0);
decoff();
if (dm[2] == 'y') decon();
}
else
{
settable(t1,4,table1);
settable(t2,4,table2);
settable(t3,4,table3);
settable(t4,4,table4);
status(A);
setreceiver(t1);
obs_pw_ovr(TRUE);
dec_pw_ovr(TRUE);
declvloff();
decpwrf(crossp);
obspwrf(tpwrm);
txphase(t3);
delay(d1);
if(p180 > 0.0)
{
decrgpulse(p180, zero, rof1, 0.0);
delay(d2);
}
rcvroff();
decphase(t2);
delay(rof1);
decon();
delay(pw - 0.8e-6);
decphase(zero);
delay(0.8e-6);
xmtron();
delay(cntct);
xmtroff();
/*optional spin lock for 13C T1rho*/
if (pcrho > 0.0)
{
decoff();
if (dm[1] == 'y') decon();
xmtron();
delay(pcrho);
xmtroff();
}
decpwrf(dipolr);
decoff();
if (dm[2] == 'y')
{
decon();
}
}
/*optional interrupted decoupling for protonated carbon dephasing*/
if (pdp[0] == 'y')
{
decoff();
delay(pdpd2);
decon();
delay((1.0 / srate) - pwx - pdpd2 - qpshft - lpdp);
txphase(t3);
delay(qpshft);
xmtron();
delay(2.0 * pwx);
xmtroff();
delay((1.0 / srate) - pwx);
}
/*optional pi pulses for suppression of sidebands - TOSS*/
if (toss[0] == 'y')
{
delay((0.1226 / srate) - pwx - qpshft - ltoss);
txphase(t3);
delay(qpshft);
xmtron();
delay(2.0*pwx);
xmtroff();
delay((0.0773 / srate) - 2.0 * pwx - qpshft);
txphase(t4);
delay(qpshft);
xmtron();
delay(2.0 * pwx);
xmtroff();
delay((0.2236 / srate) - 2.0 * pwx - qpshft);
txphase(t3);
delay(qpshft);
xmtron();
delay(2.0 * pwx);
xmtroff();
delay((1.0433 / srate) - 2.0 * pwx - qpshft);
txphase(t4);
delay(qpshft);
xmtron();
delay(2.0 * pwx);
xmtroff();
delay((0.7744 / srate) - pwx);
}
/*begin acquisition*/
delay(rof2);
rcvron();
delay(alfa+1.0/(2.0*fb));
acquire(np,1/sw);
decoff();
declvlon();
}
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);
}
