pulsesequence()
{
int t1_counter;
char CCLS[MAXSTR], /* C13 refocussing pulse in middle of t1 */
wtg3919[MAXSTR],
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
double timeCT=getval("timeCT"),
tauxh, tau1,
gzlvl3=getval("gzlvl3"),
gzlvl4=getval("gzlvl4"),
gt3=getval("gt3"),
gt4=getval("gt4"),
gstab=getval("gstab"), /* gradient recovery delay */
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
/* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"); /* C13 90 degree pulse length at pwClvl */
getstr("CCLS",CCLS);
getstr("wtg3919",wtg3919);
getstr("f1180",f1180);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
/* INITIALIZE VARIABLES */
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
}
if (wtg3919[0] != 'y')
{ pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; } /* 1dB correction applied */
}
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* LOAD PHASE TABLES */
assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 16, phi4);
settable(t5, 8, rec);
if ( phase1 == 2 ) tsadd(t2, 1, 4);
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl); decpwrf(4095.0);
delay(d1);
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
decphase(zero);
txphase(t4);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN, t2, rof1, rof1);
/* CT EVOLUTION BEGINS */
dec2phase(t3);
delay(timeCT -SAPS_DELAY -tau1);
if (CCLS[A]=='y')
{
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeCT -2.0*pw);
rgpulse(2.0*pw, t4, 0.0, 0.0);
}
else
{
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(timeCT -2.0*pwC);
simpulse(2.0*pw, 2.0*pwC, t4, zero, 0.0, 0.0);
}
delay(tau1);
/* CT EVOLUTION ENDS */
dec2rgpulse(pwN, t3, rof1, rof1);
zgradpulse(gzlvl3,gt3);
delay(gstab);
rgpulse(pw, two, rof1, rof1);
decrgpulse(pwC, zero, rof1, rof1);
zgradpulse(gzlvl4,gt4);
txphase(v7); dec2phase(zero);
delay(tauxh -gt4 -pwHs -rof1 -2.0*pwC -2.0*rof1);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl4,gt4);
delay(tauxh -gt4 -pwHs -rof1 -POWER_DELAY);
dec2power(dpwr2);
status(C);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* To check for TROSY flag */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double p_d,
rfd,
ncyc,
COmix = getval("COmix"),
p_trim,
rftrim,
tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "biocal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a, /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */
pwC6, /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8, /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration */
if (autocal[0] == 'n')
{
/* offC3 - 180 degree pulse on Ca, null at CO 118ppm away */
pwC3a = getval("pwC3a");
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC6 = getval("pwC6");
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
pwC8 = getval("pwC8");
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
}
else /* if autocal = 'y'(yes), 'q'(quiet), 'r'(read) or 's'(semi) */
{
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = -bw;
offC3 = pbox_make("offC3", "square180n", bw, ofs, compC*pwC, pwClvl);
offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl);
offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl);
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwC3a = offC3.pw; rf3 = offC3.pwrf; /* set up parameters */
pwC6 = offC6.pw; rf6 = offC6.pwrf;
pwC8 = offC8.pw; rf8 = offC8.pwrf;
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
tpwrd = wz16.pwr; pwHd = 1.0/wz16.dmf;
}
if (tpwrsf < 4095.0) tpwrs = tpwrs + 6.0;
/* the pwC3 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC3 = pwC3a;
if ( pwC3 > 0 ) phshift3 = 48.0;
else phshift3 = 0.0;
/* dipsi-3 decoupling on COCO */
p_trim = 1/(4*5000*(sfrq/600.0)); /* 5 kHz trim pulse at 600MHz as per Bax */
p_d = (5.0)/(9.0*4.0*2800.0*(sfrq/600.0)); /* 2.8 kHz DIPSI-3 at 600MHz as per Bax*/
rftrim = (compC*4095.0*pwC)/p_trim;
rftrim = (int)(rftrim+0.5);
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = ((COmix - 0.002)/51.8/4/p_d);
ncyc = (int) (ncyc + 0.5);
initval(ncyc,v9);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (ni>1 || ni2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A] == 'y')
{ printf(" TROSY option is not implemented"); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (phase2 == 2)
{tsadd(t10,2,4); icosel = +1;}
else
icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(zero);
obspower(tpwrs);
if (tpwrsf<4095.0) obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd);
if (tpwrsf<4095.0) obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
/***************************************************************/
/* The sequence is different from here with respect to ghn_co **/
/***************************************************************/
rgpulse(pwHd,one,2.0e-6,0.0); /* H1 decoupler is turned on */
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* Refocus CO, evolve CO, spinlock CO and defocus CO */
delay(timeTN - tau1/2 - 0.6*pwC6 - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("", "offC8","",0.0,pwC8, 2.0*pwN, zero,zero,zero,0.0,0.0);
decpwrf(rf3);
delay(timeTN - WFG3_STOP_DELAY - WFG_START_DELAY - pwC3a/2);
decshaped_pulse("offC3",pwC3a,zero,0.0,0.0);
if (tau1 > 0)
delay(tau1/2 - WFG_STOP_DELAY - pwC3a/2 - 2.0e-6);
else
delay(tau1/2);
/*******DO SPINLOCK ********/
decpwrf(rftrim);
decrgpulse(0.002,zero,2.0e-6,0.0);
decpwrf(rfd);
starthardloop(v9);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
endhardloop();
decpwrf(4095.0);
/* End of spinlock */
delay(timeTN - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("","offC8","",0.0,pwC8,2*pwN,zero,zero,zero,0.0,0.0);
decpwrf(rf6);
delay(timeTN - WFG3_STOP_DELAY);
/***************************************************************/
/* The sequence is same as ghn_co from this point ********/
/***************************************************************/
decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
txphase(one);
dcplrphase(zero);
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf8);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf3);
if (tau2 > kappa)
{
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.65*pwN - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4);
setreceiver(t12);
}
pulsesequence()
{
void makeHHdec(), makeCdec(); /* utility functions */
int ihh=1, /* used in HH decoupling to improve water suppression */
t1_counter;
char C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1 */
Hdecflg[MAXSTR], /* HH-h**o decoupling flag */
Cdecflg[MAXSTR], /* low power C-13 decoupling flag */
TROSY[MAXSTR],
wtg3919[MAXSTR];
double tauxh, tau1,
pwNt = 0.0, /* pulse only active in the TROSY option */
gsign = 1.0,
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
gzlvl3=getval("gzlvl3"),
gt3=getval("gt3"),
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfst = 4095.0, /* fine power for the stCall pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compr-n */
tpwrsf = getval("tpwrsf"); /* adjustment for soft pulse power*/
/* INITIALIZE VARIABLES */
getstr("C13refoc",C13refoc);
getstr("TROSY",TROSY);
getstr("wtg3919",wtg3919);
getstr("Hdecflg", Hdecflg);
getstr("Cdecflg", Cdecflg);
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if (C13refoc[A]=='y')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }
}
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if (C13refoc[A]=='y')
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
C13ofs = 100.0;
}
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC200.pwrf;
if (wtg3919[0] != 'y')
{
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
}
}
if (tpwrsf<4095.0) tpwrs = tpwrs + 6.0;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
if(Cdecflg[0] == 'y') makeCdec(); /* make shapes for HH h**o-decoupling */
if(Hdecflg[0] == 'y') makeHHdec();
if(Hdecflg[0] != 'n') ihh = -3;
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr > 0 )
{ 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 ((TROSY[A]=='y') && (dm2[C] == 'y'))
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1); }
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
tau1 = d2/2.0 - pw;
if(tau1 < 0.0) tau1 = 0.0;
/* LOAD PHASE TABLES */
settable(t6, 4, recT);
if (TROSY[A] == 'y')
{ gsign = -1.0;
pwNt = pwN;
assign(zero,v7);
assign(two,v8);
settable(t1, 1, phT1);
settable(t2, 4, phT2);
settable(t3, 1, phT4);
settable(t4, 1, phT4);
settable(t5, 4, recT); }
else
{ assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 8, rec); }
if ( phase1 == 2 ) /* Hypercomplex in t1 */
{ if (TROSY[A] == 'y')
{ tsadd(t3, 2, 4); tsadd(t5, 2, 4); }
else tsadd(t2, 1, 4); }
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); tsadd(t6,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl);
decpwrf(rfst);
if(Hdecflg[0] != 'n')
{
delay(5.0e-5);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(1.5*gzlvl3, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(-gzlvl3, 0.5e-3);
}
delay(d1);
rcvroff();
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
zgradpulse(0.5*gsign*ihh*gzlvl3,gt3);
delay(200.0e-6);
decphase(zero);
if (TROSY[A] == 'y')
{
txphase(t3);
if ( phase1 == 2 )
dec2rgpulse(pwN, t6, rof1, 0.0);
else
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (d2 > 1.0e-3 + 2.0*WFG2_START_DELAY) )
{
delay(d2/2.0 - 0.5e-3 - WFG2_START_DELAY);
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(d2/2.0 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
delay(d2);
rgpulse(pw, t3, 0.0, rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(pw,0.0,pwN,zero,zero,t3,rof1,rof1);
}
else
{
txphase(t4);
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{
delay(tau1 - 0.5e-3 - WFG2_START_DELAY);
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, t4, zero, 0.0, 0.0);
dec2phase(t3);
delay(tau1 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
{
delay(tau1);
rgpulse(2.0*pw, t4, 0.0, 0.0);
dec2phase(t3);
delay(tau1);
}
dec2rgpulse(pwN, t3, 0.0, 0.0);
zgradpulse(0.5*gzlvl3,gt3);
delay(200.0e-6);
rgpulse(pw, two, rof1, rof1);
}
zgradpulse(gzlvl3,gt3);
txphase(v7); dec2phase(zero);
delay(tauxh-gt3-pwHs-rof1+5.0e-5);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs); if (tpwrsf<4095.0) obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0) obspwrf(4095.0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs); if (tpwrsf<4095.0)obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0)obspwrf(4095.0);
}
zgradpulse(gzlvl3,gt3);
if(Cdecflg[0] == 'y')
{
delay(tauxh-gt3-pwHs-rof1-pwNt-3.0*POWER_DELAY-PRG_START_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
pbox_decon(&Cdseq);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
else
{
delay(tauxh-gt3-pwHs-rof1-pwNt-POWER_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fscuba[MAXSTR],f1180[MAXSTR],f2180[MAXSTR],fsat[MAXSTR],
shape[MAXSTR],sh_ad[MAXSTR],f3180[MAXSTR],
N_flg[MAXSTR],diag_supp[MAXSTR];
int phase,
phase2,
phase3,
t1_counter,
t2_counter,
t3_counter, icosel;
double hscuba, /* length of 1/2 scuba delay */
pwx2, /* PW90 for X-nuc */
tsatpwr, /* low power level for presat*/
dhpwr2, /* power level for X hard pulses */
jxh, /* coupling for XH */
tauxh, /* delay = 1/(2jxh) */
tau1, /* t1/2 H */
tau2, /* t2/2 N */
tau3, /* t3/2 N */
sw1, /* spectral width in 1H dimension */
sw2, /* spectral width in 15N dimension */
sw3, /* spectral width in 15N dimension */
MIX, /* Total Mixing time for noesy portion */
pw_sl, /* selective 2ms pulse on water */
tpwrsl, /* power level for pw_sl */
ppm,nst,pws,bw,ofs, /* used by Pbox */
pwN,pwNlvl,compH,compC,pwC,pwClvl,
d_ad, /* C high power for adiabatic pulses */
pwc_ad, /* C 90 pulse width */
zeta, /* Bax-Logan trick */
zeta1, /* Bax-Logan trick */
BigT,
BigT1,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12;
/* LOAD VARIABLES */
pwNlvl=getval("pwNlvl");
pwN=getval("pwN");
compC=getval("compC");
pwC=getval("pwC");
pwClvl=getval("pwClvl");
compH=getval("compH");
jxh = getval("jxh");
dhpwr2 = getval("dhpwr2");
pwx2 = getval("pwx2");
tsatpwr = getval("tsatpwr");
hscuba = getval("hscuba");
phase = (int) (getval("phase") + 0.5);
phase2 = (int) (getval("phase2") + 0.5);
phase3 = (int) (getval("phase3") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
MIX = getval("MIX");
pw_sl = getval("pw_sl");
tpwrsl = getval("tpwrsl");
pwc_ad = getval("pwc_ad");
d_ad = getval("d_ad");
ni = getval("ni");
BigT = getval("BigT");
BigT1 = getval("BigT1");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
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");
getstr("fscuba",fscuba);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("N_flg",N_flg);
getstr("diag_supp",diag_supp);
getstr("sh_ad",sh_ad);
getstr("shape",shape);
if(d_ad > 62) {
printf("chirp power is too high \n");
psg_abort(1);
}
if(pwc_ad > 1.2e-3) {
printf("adiabatic pulse is too long; set < 0.5 ms\n");
psg_abort(1);
}
setautocal(); /* activate auto-calibration flags */
if (autocal[0] != 'n')
/* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(shape,"H2Osel");
strcpy(sh_ad,"C13adiab");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.0005; /*0.5 ms pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
C13adiab = pbox_makeA("C13adiab", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
H2Osel = pbox_Rsh("H2Osel", "sinc90", pw_sl, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pw_sl = H2Osel.pw; tpwrsl = H2Osel.pwr-1.0; /* 1dB correction applied */
d_ad = C13adiab.pwr; pwc_ad = C13adiab.pw;
pwx2=pwN; dhpwr2=pwNlvl;
}
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 8 )
{
printf("tsatpwr too large !!! ");
psg_abort(1);
}
if( dpwr > -16 )
{
printf("No C decoupling used in this expt. ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("No N decoupling used in this expt. ");
psg_abort(1);
}
if(gzlvl0 > 500) {
printf("gzlvl0_max is 500\n");
psg_abort(1);
}
if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3 || gt4 > 3e-3
|| gt5 > 3e-3 || gt6 > 3e-3 || gt7 > 3e-3
|| gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3 || gt11 > 3e-3
|| gt12 > 3e-3)
{
printf("gradients are on for too long !!! ");
psg_abort(1);
}
if(ix==1) {
if(f1180[A] != 'n' || f2180[A] !='y' || f3180[A] != 'y') {
printf("f1180 should be n, f2180 y, and f3180 should be y\n");
}
}
/* LOAD VARIABLES */
settable(t1, 4, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 1, phi4);
settable(t5, 1, phi5);
settable(t6, 1, phi6);
settable(t7, 1, phi7);
settable(t8, 1, phi8);
settable(t9, 2, phi9);
settable(t10, 4, rec);
/* INITIALIZE VARIABLES */
tauxh = 1/(4*jxh);
/* Phase incrementation for hypercomplex data */
if( phase == 2 ) {
tsadd(t2, 1, 4);
tsadd(t3, 1, 4);
}
if ( phase2 == 2 ) { /* Hypercomplex in t2 */
tsadd(t1, 1, 4);
}
if ( phase3 == 2 ) /* Hypercomplex in t3 */
{
tsadd(t6, 2, 4);
tsadd(t7, 2, 4);
tsadd(t8, 2, 4);
tsadd(t10, 2, 4);
icosel = -1;
}
else
icosel = 1;
/* calculate modifications to phases based on current t2/t3 values
to achieve States-TPPI acquisition */
if(ix==1)
d4_init = d4;
t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5);
if(t3_counter %2) {
tsadd(t4,2,4);
tsadd(t5,2,4);
tsadd(t10,2,4);
}
if(ix==1)
d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5);
if(t2_counter %2) {
tsadd(t1,2,4);
tsadd(t10,2,4);
}
if(ix==1)
d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if(t1_counter %2) {
tsadd(t2,2,4);
tsadd(t3,2,4);
tsadd(t10,2,4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += 1/(2.0*sw1);
}
tau1 = tau1/2.0;
if(tau1 < 0.2e-6) tau1 = 0.2e-6;
/* 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) - (4.0/PI)*pwx2
- 2.0*(2.0*GRADIENT_DELAY + 50.0e-6 + 5.0e-6) );
if(f2180[A] == 'n')
tau2 = ( tau2 - (4.0/PI)*pwx2
- 2.0*(2.0*GRADIENT_DELAY + 50.0e-6 + 5.0e-6) );
tau2 = tau2/2.0;
if(ix==1)
if((tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY)
< 5.0e-6) && N_flg[A] == 'n')
printf("tau2 is negative; set f1180 to y\n");
/* set up so that get (-90,180) phase corrects in F3 if f3180 flag is y */
tau3 = d4;
if(f3180[A] == 'y') tau3 += ( 1.0/(2.0*sw3) );
tau3 = tau3/2.0;
if( tau3 < 0.2e-6) tau3 = 2.0e-7;
/* Now include Bax/Logan trick */
if(ni != 1) {
if(diag_supp[A] == 'n')
zeta = (tauxh - gt5 - 102.0e-6 + 2.0*pwx2 - 2.0e-6);
else
zeta = (1.0/(8.0*93.39) - gt5 - 102.0e-6 + 2.0*pwx2 - 2.0e-6);
zeta = zeta / ( (double) (ni-1) );
if(zeta < 0.0) {
printf("problem with zeta\n");
psg_abort(1);
}
}
else
zeta = 0.0;
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2 - d2_init)*sw1 + 0.5 );
zeta1 = zeta*( (double)t1_counter );
tau1 = tau1 - zeta1;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set power for presaturation */
decpower(d_ad); /* Set decoupler1 power to d_ad */
dec2power(dhpwr2); /* Set decoupler2 power to dhpwr2 */
/* Presaturation Period */
if(fsat[0] == 'y')
{
txphase(zero);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set power for hard pulses */
if (fscuba[0] == 'y') /* Scuba pulse sequence */
{
hsdelay(hscuba);
rgpulse(pw,zero,1.0e-6,0.0); /* 90x180y90x */
rgpulse(2*pw,one,1.0e-6,0.0);
rgpulse(pw,zero,1.0e-6,0.0);
txphase(zero);
delay(hscuba);
}
}
else {
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
status(B);
obsoffset(tof);
rcvroff();
delay(20.0e-6);
/* eliminate all magnetization originating from 15N */
dec2rgpulse(pwx2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(tauxh - gt2 - 4.0e-6); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,0.0,0.0);
delay(tauxh - gt2 - 202.0e-6); /* delay=1/4J(XH) */
txphase(one); dec2phase(t1);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,two,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
txphase(zero);
dec2rgpulse(pwx2,t1,0.0,0.0);
dec2phase(zero);
if(N_flg[A] == 'n')
{
if(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY
+ pwc_ad + WFG2_STOP_DELAY) < 0.2e-6)
{
rgradient('z',gzlvl0); /* use rgradient since shaping takes more time */
delay(tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY));
rgradient('z',0.0);
delay(50.0e-6);
shaped_pulse("composite",4.0*pw,zero,0.0,0.0); /* 90x-180y-90x */
rgradient('z',-1.0*gzlvl0);
delay(tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY));
rgradient('z',0.0);
delay(50.0e-6);
}
else
{
rgradient('z',gzlvl0); /* use rgradient since shaping takes more time */
delay(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY
+ pwc_ad + WFG2_STOP_DELAY));
rgradient('z',0.0);
delay(50.0e-6);
simshaped_pulse("composite",sh_ad,4.0*pw,pwc_ad,zero,zero,0.0,0.0);
rgradient('z',-1.0*gzlvl0); /* use rgradient since shaping takes more time */
delay(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY
+ pwc_ad + WFG2_STOP_DELAY));
rgradient('z',0.0);
delay(50.0e-6);
}
} /* N_flg[A] == y */
else
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,4.0e-6,4.0e-6);
dec2rgpulse(pwx2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
if(diag_supp[A] == 'n') {
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,t3,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
rgpulse(pw,t2,2.0e-6,0.0);
txphase(t9);
delay(tau1 + tauxh + zeta1 - gt5 - 102.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
dec2rgpulse(2.0*pwx2,zero,0.0,0.0);
delay(tau1);
rgpulse(2.0*pw,t9,0.0,0.0); txphase(one);
delay(tauxh - zeta1 - gt5 - 102.0e-6 + 2.0*pwx2);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
rgpulse(pw,one,0.0,0.0);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,one,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(MIX - gt6 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gt6);
delay(gstab);
}
else {
initval(1.0,v4);
obsstepsize(45.0);
xmtrphase(v4);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,t3,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
/*
xmtrphase(zero);
delay(2.0e-6);
initval(1.0,v4);
obsstepsize(45.0);
xmtrphase(v4);
*/
rgpulse(pw,t2,2.0e-6,0.0);
xmtrphase(zero);
txphase(t9);
delay(tau1 + 1.0/(8.0*93.39) + zeta1 - gt5 - 102.0e-6 - SAPS_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
dec2rgpulse(2.0*pwx2,zero,0.0,0.0);
delay(tau1);
rgpulse(2.0*pw,t9,0.0,0.0); txphase(one);
delay(1.0/(8.0*93.39) - zeta1 - gt5 - 102.0e-6 + 2.0*pwx2);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
rgpulse(pw,one,0.0,0.0);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,one,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(2.0e-6);
zgradpulse(gzlvl6,gt6/2.0);
delay(gstab);
delay(MIX - 1.5*gt6 - 2.0*(gstab+2.0e-6) - 2.0*pwx2);
dec2rgpulse(2.0*pwx2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
}
rgpulse(pw,two,2.0e-6,0.0);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,zero,2.0e-6,0.0);
delay(2.0e-6); txphase(zero);
obspower(tpwr);
/* shaped pulse */
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(tauxh
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY
- gt7 - 4.0e-6); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,0.0,0.0);
delay(tauxh
- gt7 - gstab -2.0e-6
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gt7);
delay(gstab);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,one,2.0e-6,0.0);
obspower(tpwr);
delay(2.0e-6); txphase(zero);
/* shaped pulse */
rgpulse(pw,one,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(gstab);
txphase(t6);
if(phase3 == 1)
dec2rgpulse(pwx2,t4,4.0e-6,0.0);
if(phase3 == 2)
dec2rgpulse(pwx2,t5,4.0e-6,0.0);
decphase(zero);
if(tau3 - 0.5*(WFG_START_DELAY
+ pwc_ad + WFG_STOP_DELAY)
< 0.2e-6) {
delay(tau3);
delay(tau3);
}
else {
delay(tau3 - 0.5*(WFG_START_DELAY
+ pwc_ad + WFG_STOP_DELAY));
decshaped_pulse(sh_ad,pwc_ad,zero,0.0,0.0);
delay(tau3 - 0.5*(WFG_START_DELAY
+ pwc_ad + WFG_STOP_DELAY));
}
delay(2.0e-6);
zgradpulse(-1.0*gzlvl11,gt11);
delay(100.0e-6);
delay(BigT - 4.0/PI*pwx2 + pw - 2.0*GRADIENT_DELAY - gt11
- 102.0e-6);
dec2rgpulse(2.0*pwx2,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
delay(BigT - 2.0*GRADIENT_DELAY - gt11
- 102.0e-6);
rgpulse(pw,t6,0.0,0.0);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,t7,2.0e-6,0.0);
delay(2.0e-6); txphase(zero);
obspower(tpwr);
/* shaped pulse */
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
delay(tauxh
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY
- gt9 - 102.0e-6);
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,0.0,0.0);
dec2phase(t8);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
delay(tauxh
- gt9 - 102.0e-6
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shape,pw_sl,zero,2.0e-6,0.0);
obspower(tpwr);
delay(2.0e-6); txphase(zero);
/* shaped pulse */
sim3pulse(pw,0.0,pwx2,zero,zero,t8,0.0,0.0);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(2.0e-6);
delay(tauxh - gt10 - 4.0e-6);
sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(100.0e-6);
delay(tauxh
- gt10 - 102.0e-6
+ 2.0/PI*pw - pwx2 + 0.5*(pwx2-pw));
dec2rgpulse(pwx2,zero,0.0,0.0);
dec2power(dpwr2); /* Very Important */
decpower(dpwr);
delay(BigT1 - 2.0*POWER_DELAY);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(-1.0*icosel*gzlvl12,gt12);
delay(50.0e-6);
delay(BigT1 - 2.0*GRADIENT_DELAY - 52.0e-6 - gt12);
/* acquire data */
status(C);
setreceiver(t10);
}
void 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 */
shib[MAXSTR], /* iburp for inversion during first inept */
Hshp[MAXSTR], /* proton inversion during chirp */
ddseq[MAXSTR],
shreb[MAXSTR], /* reburb hard during t2 */
co_shp[MAXSTR], /* shape of co 180 at 176 ppm */
CT_flg[MAXSTR],
codecseq[MAXSTR],
c180_flg[MAXSTR],
n_shift[MAXSTR],
shibca[MAXSTR],
shibcai[MAXSTR];
int phase, phase2, t2_counter, ni2, ni,
t1_counter; /* used for states tppi in t2,t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JCH = 1.7 ms; first inept */
mix, /* noesy mixing time */
TC, /* Variable CT period during t1 1/2JCC */
TC2, /* Variable CT period during t3 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 */
sw2, /* sweep width in f2 */
pwC,pwClvl,compC,pwN,pwNlvl,ppm,ofs,bw, /*used by Pbox */
d_ib,
pwib,
pwhshp,
pwd1, /* 2H flip back pulses */
d_reb,
pwreb,
ph_reb,
ph_reb1, /* only used if CT_flg=='y' and n_shift=='y' */
pwco180,
dhpwr2,
pwn,
d_co180,
pwcodec, /* carbon pw90 for seduce decoupling */
dpwrsed,
dressed,
d_ibca, /* power level for selective 13Ca pulse during CT-t2 */
pwibca, /* selective 13Ca pulse width */
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;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("n_shift",n_shift);
getstr("Hshp",Hshp);
getstr("CT_flg",CT_flg);
getstr("c180_flg",c180_flg);
compC = getval("compC"); pwN=getval("pwN"); pwNlvl=getval("pwNlvl");
pwC = getval("pwC"); pwClvl=getval("pwClvl");
pwhshp = getval("pwhshp");
taua = getval("taua");
mix = getval("mix");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
ni = getval("ni");
pwd1 = getval("pwd1");
ph_reb = getval("ph_reb");
ph_reb1 = getval("ph_reb1");
TC2 = getval("TC2");
dhpwr2 = getval("dhpwr2");
pwn = getval("pwn");
setautocal();
if(autocal[0]=='n')
{
getstr("shreb",shreb);
getstr("shib",shib);
getstr("shibca",shibca);
getstr("shibcai",shibcai);
getstr("co_shp",co_shp);
getstr("codecseq",codecseq);
d_reb = getval("d_reb");
pwreb = getval("pwreb");
d_ib = getval("d_ib");
pwib = getval("pwib");
d_ibca = getval("d_ibca");
pwibca = getval("pwibca");
d_co180 = getval("d_co180");
pwco180 = getval("pwco180");
pwcodec = getval("pwcodec");
dpwrsed = getval("dpwrsed");
dressed = getval("dressed");
}
else
{
/*strcpy(Hshp,"hard"); former declarations using TNMR.h syntax
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");*/
strcpy(Hshp,"hard");
strcpy(shreb,"Preb_5p");
strcpy(shib,"Pib_1p5");
strcpy(shibca,"Pib_35p");
strcpy(shibcai,"Pib_35pi");
strcpy(co_shp,"Psed_156p");
strcpy(codecseq,"Pdec_156p");
if (FIRST_FID)
{
ppm = getval("dfrq");
/* These are former declarations (at top) using TNMR.h syntax */
/*REB180 "reburp 110p 5p"*/ /* RE-BURP 180 on Cab at 24.6 ppm, 5 ppm away */
/*IB180 "iburp2 24.4p 1.5p"*/ /* I-BURP 180 on Me at 21.1 ppm, 1.5 ppm away */
/*IBCA "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*IBCAI "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */
/*CO180 "seduce 30p 156p"*/ /* SEDUCE 180 on C' at 175.6 ppm 156 ppm away */
/*CODEC "WURST2 20p/4m 156p"*/ /* WURST2 decoupling on C' at 175.6 ppm 156 ppm away */
/*REB180ps "-stepsize 0.5 -attn i"*/ /* seduce 180 shape parameters */
/*CODECps "-dres 1.0 -maxincr 20.0 -attn i"*/
/*co180 = pbox(co_shp, CO180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibcai = pbox(shibcai, IBCAI, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ibca = pbox(shibca, IBCA, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*ib180 = pbox(shib, IB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*reb = pbox(shreb, REB180, REB180ps, dfrq, compC*pwc, dhpwr);*/
/*COdec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwc, dhpwr);*/
bw = 110.0*ppm; ofs = 5.0*ppm;
Preb_5p = pbox_Rsh("Preb_5p", "reburp", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 1.5*ppm;
Pib_1p5 = pbox_Rsh("Pib_1p5", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35p = pbox_Rsh("Pib_35p", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 24.4*ppm; ofs = 35*ppm;
Pib_35pi = pbox_Rsh("Pib_35pi", "iburp2", bw , ofs, compC*pwC, pwClvl);
bw = 30.0*ppm; ofs = 156*ppm;
Psed_156p = pbox_Rsh("Psed_156p", "seduce", bw , ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 156*ppm;
Pdec_156p = pbox_Dsh("Pdec_156p", "WURST2", bw , ofs, compC*pwC, pwClvl);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
d_reb = Preb_5p.pwr; pwreb = Preb_5p.pw;
d_ib = Pib_1p5.pwr; pwib = Pib_1p5.pw;
d_ibca = Pib_35p.pwr; pwibca = Pib_35p.pw;
d_co180 = Psed_156p.pwr; pwco180 = Psed_156p.pw;
dpwrsed = Pdec_156p.pwr; pwcodec = 1.0/Pdec_156p.dmf; dressed = Pdec_156p.dres;
pwc=pwC; dhpwr=pwClvl; pwn=pwN; dhpwr2=pwNlvl; pwhshp=2.0*pw;
pwd1=1/dmf3; pwhshp=2.0*pw;
}
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 PHASE TABLE */
settable(t1,4,phi1);
settable(t2,8,phi2);
settable(t7,2,phi7);
settable(t8,2,phi8);
settable(t9,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(TC/2.0 - 0.5*(ni-1)*1/(sw1) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni is too big\n");
psg_abort(1);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
if(TC2/2.0 - 0.5*(ni2-1)*1/(sw2) - POWER_DELAY - 4.0e-6
- WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
if(TC2/2.0 - 0.5*(ni2-1)/sw2 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY < 0.2e-6)
{
printf(" ni2 is too big\n");
psg_abort(1);
}
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 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( d_ib > 54 )
{
printf("don't fry the probe, d_ib too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 51 )
{
printf("don't fry the probe, DPWR3 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( pwd1 < 100.0e-6 && pwd1 != 0.0)
{
printf("dont fry the probe, pwd1 too short and dpwr3 too high! ");
psg_abort(1);
}
if(d_co180 > 50)
{
printf("dont fry the probe, d_co180 is too high\n ");
psg_abort(1);
}
if(((pwco180 > 250e-6) || (pwco180 < 200e-6)) && (autocal[A] == 'n'))
{
printf("pwco180 is misset < 250 us > 200 us\n");
psg_abort(1);
}
if(dpwrsed > 45)
{
printf("dpwrsed is misset < 46\n");
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 > 15e-3 || gt11 > 15e-3 || gt12 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase2 == 2) {
tsadd(t2,1,4);
}
if (phase == 2)
tsadd(t1,1,4);
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(CT_flg[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwc - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
if(tau2 < 0.0 && ix == 1)
printf("tau2 start2 negative; decrease sw2\n");
}
if(f2180[A] == 'n') {
tau2 = ( tau2 - 4.0/PI*pwn - POWER_DELAY
- PRG_START_DELAY - 4.0*pw - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6);
}
}
if(tau2 < 0.4e-6) tau2 = 0.4e-6;
tau2 = tau2/2.0;
/* 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(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(t2,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dhpwr2); /* Set Dec2 power for hard 15N pulses */
dec3power(dpwr3); /* Set Dec3 power for 2H pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
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 */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
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);
decpower(d_ib); /* set power for chirp during inept */
delay(4e-6);
/* 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 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
txphase(one); decphase(t1);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwc,t1,0.0,0.0);
decphase(zero);
delay(tau1);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC/2.0 - tau1 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt4 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
initval(1.0,v3);
decstepsize(ph_reb);
dcplrphase(v3);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(TC/2.0 - tau1 - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(d_ib);
delay(taua - gt6 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
decpower(dhpwr);
txphase(one);
delay(taua - gt6 - gstab -2.0e-6 - POWER_DELAY - WFG2_STOP_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(mix - gt7 - 352.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
decpower(d_ib); /* set power level for iburp */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n') {
delay(taua - gt8 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */
simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt8 - 4.0e-6 - WFG3_START_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,zero,zero,zero,0.0,0.0);
}
txphase(one); decphase(t2);
decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt8 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY);
else
delay(taua - gt8 - 4.0e-6 - WFG3_STOP_DELAY - POWER_DELAY);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(gstab);
if(CT_flg[A] == 'y' && n_shift[A] == 'n') {
decrgpulse(pwc,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb);
dcplrphase(v4);
decpower(d_reb);
decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(zero); decpower(dhpwr);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG_STOP_DELAY - POWER_DELAY
- gt10 - gstab -2.0e-6);
decrgpulse(pwc,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'y' && n_shift[A] == 'y') {
dec2phase(t2); delay(2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0);
decphase(zero);
delay(tau2);
decphase(zero);
decpower(d_co180);
sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,0.0e-6,zero,zero,zero,4.0e-6,2.0e-6);
decpower(d_ibca);
decshaped_pulse(shibca,pwibca,zero,4.0e-6,0.0);
decphase(zero);
delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180
- WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1
- gt10 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - WFG3_START_DELAY);
dec3rgpulse(pwd1,zero,0.0,0.0);
delay(tau2);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
initval(1.0,v4);
decstepsize(ph_reb1);
dcplrphase(v4);
decpower(d_reb);
sim3shaped_pulse("hard",shreb,"hard",0.0e-6,pwreb,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dcplrphase(zero);
decphase(t7); decpower(d_ibca);
decshaped_pulse(shibcai,pwibca,t7,4.0e-6,0.0);
decpower(dhpwr); decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(gstab);
delay(TC2/2.0 - tau2 - WFG3_STOP_DELAY - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwibca - WFG_STOP_DELAY
- POWER_DELAY
- gt10 - gstab -2.0e-6);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0);
dec3rgpulse(pwd1,two,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'n') {
txphase(one);
decrgpulse(pwc,t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
dec2rgpulse(2.0*pwn,zero,0.0,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff();
decpower(dhpwr);
/* seduce off */
}
else
decrgpulse(2.0*pwc,zero,4.0e-6,0.0);
decrgpulse(pwc,zero,4.0e-6,0.0);
}
if(CT_flg[A] == 'n' && n_shift[A] == 'y') {
txphase(one); dec2phase(t2);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),t2,2.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),t2,0.0,0.0);
if(c180_flg[A] == 'n')
{
decphase(zero);
/* seduce on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* seduce on */
delay(tau2);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,2.0e-6,0.0);
rgpulse(pw,one,2.0e-6,0.0);
delay(tau2);
/* seduce off */
decoff();
decprgoff(); /* note that ca-n evolves ; keep t2,max <= 9.5ms */
decpower(dhpwr);
/* seduce off */
}
else
sim3pulse(0.0,2.0*pwc,2.0*pwn,zero,zero,zero,4.0e-6,0.0);
dec2rgpulse((2.0/PI)*(pwn-pwc),zero,4.0e-6,0.0);
sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0);
dec2rgpulse((PI-2.0)/PI*(pwn-pwc),zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
lk_sample();
rgpulse(pw,t8,4.0e-6,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
decpower(d_ib);
if(n_shift[A] == 'n') {
delay(taua - gt12 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY);
simshaped_pulse(Hshp,shib,pwhshp,pwib,t8,zero,0.0,0.0);
decphase(zero);
}
else {
delay(taua - gt12 - 4.0e-6 - WFG3_START_DELAY - POWER_DELAY);
sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,t8,zero,zero,0.0,0.0);
}
delay(2.0e-6);
zgradpulse(gzlvl12,gt12);
delay(2.0e-6);
if(n_shift[A] == 'n')
delay(taua - gt12 - 4.0e-6 - WFG2_STOP_DELAY - 2.0*POWER_DELAY);
else
delay(taua - gt12 - 4.0e-6 - WFG3_STOP_DELAY - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,t8,0.0,rof2);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
NH2only[MAXSTR], /* spectrum of only NH2 groups */
amino[MAXSTR], /* select amino nitrogens */
imino[MAXSTR], /* select imino nitrogens */
T1[MAXSTR], /* insert T1 relaxation delay */
T1rho[MAXSTR], /* insert T1rho relaxation delay */
T2[MAXSTR], /* insert T2 relaxation delay */
bottom[MAXSTR],
right[MAXSTR],
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
rTnum, /* number of relaxation times, relaxT */
rTcounter; /* to obtain maximum relaxT, ie relaxTmax */
double tau1, /* t1 delay */
lambda = 0.91/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
relaxT = getval("relaxT"), /* total relaxation time */
rTarray[1000], /* to obtain maximum relaxT, ie relaxTmax */
maxrelaxT = getval("maxrelaxT"), /* maximum relaxT in all exps */
ncyc, /* number of pulsed cycles in relaxT */
/* the sech/tanh pulse is automatically calculated by the macro "rna_cal", */ /* and is called directly from your shapelib. */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the rna_stC140 pulse */
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compN = getval("compN"), /* adjustment for N15 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
calH = getval("calH"), /* multiplier on a pw pulse for H1 calibration */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
calN = getval("calN"), /* multiplier on a pwN pulse for calibration */
slNlvl, /* power for N15 spin lock */
slNrf = 1500.0, /* RF field in Hz for N15 spin lock at 600 MHz */
dof2a, /* offset for imino/amino */
sw1 = getval("sw1"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* dac to G/cm conversion */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
BPpwrlimits, /* =0 for no limit, =1 for limit */
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
getstr("T1",T1);
getstr("T1rho",T1rho);
getstr("T2",T2);
getstr("bottom",bottom);
getstr("right",right);
getstr("TROSY",TROSY);
getstr("imino",imino);
getstr("amino",amino);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
if (TROSY[A]=='y')
{ settable(t1,1,ph_x);
if (bottom[A]=='y')
settable(t4,1,phx);
else
settable(t4,1,ph_x);
if (right[A]=='y')
settable(t10,1,phy);
else
settable(t10,1,ph_y);
settable(t9,1,phx);
settable(t11,1,phx);
settable(t12,2,recT);
}
else
{ settable(t1,1,phx);
settable(t4,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
}
/* INITIALIZE VARIABLES */
dof2a=dof2;
/* IMINO-region setting of dof2 */
if (imino[A] == 'y') dof2a=dof2-45*dfrq2;
if (amino[A] == 'y') dof2a=dof2-115*dfrq2;
if ((imino[A] == 'n') && (amino[A] == 'n')) dof2a=dof2;
/* maximum fine power for pwC pulses (and initialize rfst) */
rfC = 4095.0;
rfst=0.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse covers 140 ppm */
if (C13refoc[A]=='y')
{ rfst = (compC*4095.0*pwC*4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((21.0*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((21.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1);
}
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 140.0*ppm;
pws = 0.001;
ofs = 0.0;
nst = 1000.0;
if (C13refoc[A]=='y')
stC140 = pbox_makeA("rna_stC140", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
H2Osinc = pbox_Rsh("rna_H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
if (dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC140.pwrf;
pwHs = H2Osinc.pw;
tpwrs = H2Osinc.pwr;
}
/* power level for N15 spinlock (90 degree pulse length calculated first) */
slNlvl = 1/(4.0*slNrf*sfrq/600.0) ;
slNlvl = pwNlvl - 20.0*log10(slNlvl/(pwN*compN));
slNlvl = (int) (slNlvl + 0.5);
/* use 1/8J times for relaxation measurements of NH2 groups */
if ( (NH2only[A]=='y') && ((T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y')) )
{
tNH = tNH/2.0;
}
/* reset calH and calN for 2D if inadvertently left at 2.0 */
if (ni>1.0) {
calH=1.0;
calN=1.0;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( ((imino[A] == 'y') && (amino[A] == 'y')) )
{
printf(" Choose ONE of the cases: imino='y' OR amino='y' ");
psg_abort(1);
}
if ( ((imino[A] == 'y') && (NH2only[A] == 'y')) )
{
printf(" NH2only='y' only valide for amino='y' ");
psg_abort(1);
}
if ((TROSY[A]=='y') && (gt1 < -2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY))
{ text_error( " gt1 is too small. Make gt1 equal to %f or more.\n",
(-2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY) );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nny' ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( (pwN > 100.0e-6) && (pwNlvl > 54) )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* RELAXATION TIMES AND FLAGS */
/* evaluate maximum relaxT, relaxTmax chosen by the user */
rTnum = getarray("relaxT", rTarray);
relaxTmax = rTarray[0];
for (rTcounter=1; rTcounter<rTnum; rTcounter++)
if (relaxTmax < rTarray[rTcounter]) relaxTmax = rTarray[rTcounter];
/* compare relaxTmax with maxrelaxT */
if (maxrelaxT > relaxTmax) relaxTmax = maxrelaxT;
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > d1) )
{
text_error("Maximum relaxation time, relaxT, is greater than d1 ! ");
psg_abort(1);
}
if ( ((T1[A]=='y') && (T1rho[A]=='y')) || ((T1[A]=='y') && (T2[A]=='y')) ||
((T1rho[A]=='y') && (T2[A]=='y')) )
{
text_error("Choose only one relaxation measurement ! ");
psg_abort(1);
}
if ( ((T1[A]=='y') || (T1rho[A]=='y')) &&
((relaxT*100.0 - (int)(relaxT*100.0+1.0e-4)) > 1.0e-6) )
{
text_error("Relaxation time, relaxT, must be zero or multiple of 10msec");
psg_abort(1);
}
if ( (T2[A]=='y') &&
(((relaxT+0.01)*50.0 - (int)((relaxT+0.01)*50.0+1.0e-4)) > 1.0e-6) )
{
text_error("Relaxation time, relaxT, must be odd multiple of 10msec");
psg_abort(1);
}
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.25) && (ix==1) )
{
printf("WARNING, sample heating may result in a reduced lock level for relaxT>0.25sec");
}
if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.5) )
{
text_error("relaxT greater than 0.5 seconds will heat sample");
psg_abort(1);
}
if ( ((NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y'))
&& (TROSY[A]=='y') )
{
text_error("TROSY not implemented with NH2 spectrum, or relaxation exps.");
psg_abort(1);
}
if ((TROSY[A]=='y') && (dm2[C] == 'y'))
{
text_error("Choose either TROSY='n' or dm2='nnn' ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (TROSY[A]=='y')
{ if (phase1 == 1) icosel = -1;
else {
tsadd(t4,2,4);
tsadd(t10,2,4);
icosel = +1;
}
}
else {
if (phase1 == 1) {
tsadd(t10,2,4);
icosel = +1;
}
else icosel = -1;
}
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.2e-6) tau1 = 0.0;
}
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(t3,2,4);
tsadd(t12,2,4);
}
/* Correct inverted signals for NH2 only spectra */
if ((NH2only[A]=='y') && (T1[A]=='n') && (T1rho[A]=='n') && (T2[A]=='n'))
{
tsadd(t3,2,4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
decpwrf(rfC);
dec2power(pwNlvl);
dec2offset(dof2a);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
/* xxxxxxxxxxxxxxxxx CONSTANT SAMPLE HEATING FROM N15 RF xxxxxxxxxxxxxxxxx */
if (T1rho[A]=='y')
{ dec2power(slNlvl);
dec2rgpulse(relaxTmax-relaxT, zero, 0.0, 0.0);
dec2power(pwNlvl);
}
if (T2[A]=='y')
{ ncyc = 8.0*100.0*(relaxTmax - relaxT);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl-3.0); /* reduce for probe protection */
pwN=pwN*compN*1.4;
}
if (ncyc > 0)
{ initval(ncyc,v1);
loop(v1,v2);
delay(0.625e-3 - pwN);
dec2rgpulse(2*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v2);
}
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl); /* restore normal value */
pwN=getval("pwN");
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
rcvroff();
if (TROSY[A]=='n') dec2rgpulse(pwN, zero, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A]=='n') dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
decpwrf(rfst);
txphase(t1);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{ lk_hold();
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(calH*pw,t1,0.0,0.0); /* 1H pulse excitation */
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(two);
obspower(tpwrs);
shaped_pulse("rna_H2Osinc", pwHs, two, 5.0e-5, 0.0);
obspower(tpwr);
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
delay(2.0e-4);
dec2rgpulse(calN*pwN, t3, 0.0, 0.0);
txphase(zero);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 RELAXATION xxxxxxxxxxxxxxxxxxxx */
if ( (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') )
{
dec2phase(one);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(tNH - gt4 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(tNH - gt4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (T1[A]=='y')
{
dec2rgpulse(pwN, one, 0.0, 0.0);
dec2phase(three);
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
delay(2.5e-3 - gt0 - 2.0*GRADIENT_DELAY - pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.5e-3 - pw);
ncyc = (100.0*relaxT);
initval(ncyc,v4);
if (ncyc > 0)
{ loop(v4,v5);
delay(2.5e-3 - pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
delay(2.5e-3 - pw);
delay(2.5e-3 - pw);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(2.5e-3 - pw);
endloop(v5);
}
dec2rgpulse(pwN, three, 0.0, 0.0);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
/* Theory suggests 8.0 is better than 2PI as RF */
/* field multiplier and experiment confirms this.*/
if (T1rho[A]=='y') /* Shift evolution of 2.0*pwN/PI for one pulse */
{ /* at end left unrefocused as for normal sequence*/
delay(1.0/(8.0*slNrf) - pwN);
decrgpulse(pwN, zero, 0.0, 0.0);
dec2power(slNlvl);
/* minimum 5ms spinlock to dephase */
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); /* spins not locked */
sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
ncyc = 100.0*relaxT;
initval(ncyc,v4);
if (ncyc > 0)
{ loop(v4,v5);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
sim3pulse(2.0*pw, 0.0, 2.0*pw, two, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0);
dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0);
endloop(v5);
}
dec2power(pwNlvl);
decrgpulse(pwN, zero, 0.0, 0.0);
delay(1.0/(8.0*slNrf) + 2.0*pwN/PI - pwN);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (T2[A]=='y')
{
dec2phase(zero);
initval(0.0,v3);
initval(180.0,v4);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl-3.0); /* reduce for probe protection */
pwN=pwN*compN*1.4;
}
ncyc = 100.0*relaxT;
initval(ncyc,v5);
loop(v5,v6);
initval(3.0,v7);
loop(v7,v8);
delay(0.625e-3 - pwN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v8);
delay(0.625e-3 - pwN - SAPS_DELAY);
add(v4,v3,v3);
obsstepsize(1.0);
xmtrphase(v3); /* SAPS_DELAY */
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN - pw);
rgpulse(2*pw, zero, 0.0, 0.0);
delay(0.625e-3 - pwN - pw );
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
xmtrphase(zero); /* SAPS_DELAY */
delay(0.625e-3 - pwN - SAPS_DELAY);
initval(3.0,v9);
loop(v9,v10);
delay(0.625e-3 - pwN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(0.625e-3 - pwN);
endloop(v10);
endloop(v6);
if (BPpwrlimits > 0.5)
{
dec2power(pwNlvl); /* restore normal value */
pwN=getval("pwN");
}
}
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if ( (NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') )
{
delay(tau1);
/* optional sech/tanh pulse in middle of t1 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{ decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw);
}
else
{
delay(tNH - 2.0*pw);
}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau1);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(t4);
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else if (TROSY[A]=='y')
{
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);
}
else delay(2.0*tau1);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
delay(gt1 + 2.0e-4 - pwHs - 1.0e-4 - 2.0*POWER_DELAY);
txphase(three);
obspower(tpwrs); /* POWER_DELAY */
shaped_pulse("rna_H2Osinc", pwHs, three, 5.0e-5, 0.0);
txphase(t4);
obspower(tpwr); /* POWER_DELAY */
delay(5.0e-5);
}
else
{ /* fully-coupled spectrum */
if (dm2[C]=='n') {
rgpulse(2.0*pw, zero, 0.0, 0.0);
pw=0.0;
}
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "rna_stC140", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);
delay(gt1 + 2.0e-4);
}
else
{ delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau1);
}
decphase(zero);
pw=getval("pw");
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
txphase(t4);
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
if (T1rho[A]=='y') delay(POWER_DELAY);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, 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(1.5*gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 - 0.65*pw + 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();
}
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, 0.1*gt1);
else zgradpulse(icosel*gzlvl2, 0.1*gt1); /* 2.0*GRADIENT_DELAY */
rcvron();
statusdelay(C,1.0e-4-rof1);
if (dm3[B] == 'y') {
delay(1/dmf3);
lk_sample();
}
setreceiver(t12);
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char C13refoc[MAXSTR],comp_flg[MAXSTR],fsat[MAXSTR],f1180[MAXSTR];
int phase,t1_counter;
double pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the stCall pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
tau1, /* t1 delay */
taua, /* < 1 / 4J(NH) 2.25 ms */
taub, /* 1 / 4J(NH) in NH : 2.68 ms */
pwn, /* PW90 for N-nuc */
pwN, /* N15 pw90 for BioPack */
pwNlvl, /* N15 power for BioPack */
pwn_cp, /* PW90 for N CPMG */
pwHs, /* BioPack selective PW90 for water excitation */
compH, /* amplifier compression factor*/
compN, /* amplifier compression factor*/
phase_sl,
tsatpwr, /* low power level for presat */
tpwrsf_u, /* fine power adjustment on flip-up sel 90 */
tpwrsf_d, /* fine power adjustment on flip-down sel 90 */
tpwrsl, /* low power level for sel 90 */
dhpwr2, /* power level for N hard pulses */
dpwr2_comp, /* power level for CPMG compensation */
dpwr2_cp, /* power level for N CPMG */
tauCPMG, /* CPMG delay */
ncyc, /* number of times to loop */
ncyc_max, /* max number of times to loop */
time_T2, /* total time for T2 measuring */
tofps, /* water freq */
sw1,
pwr_delay, /* POWER_DELAY recalculated*/
timeC,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gstab, /* stabilization delay */
BPpwrlimits, /* =0 for no limit, =1 for limit */
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6;
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
/* LOAD VARIABLES */
getstr("C13refoc", C13refoc);
/* taub = 1/(8*93.0); */
taua = getval("taua");
taub = getval("taub");
pwNlvl = getval("pwNlvl");
pwN = getval("pwN");
pwn = getval("pwn");
pwn_cp = getval("pwn_cp");
pwHs = getval("pwHs");
compH = getval("compH");
compN = getval("compN");
phase_sl = getval("phase_sl");
tsatpwr = getval("tsatpwr");
tpwrsf_u = getval("tpwrsf_u");
tpwrsf_d = getval("tpwrsf_d");
tpwrsl = getval("tpwrsl");
dhpwr2 = getval("dhpwr2");
dpwr2_comp = getval("dpwr2_comp");
dpwr2_cp = getval("dpwr2_cp");
ncyc = getval("ncyc");
ncyc_max = getval("ncyc_max");
time_T2 = getval("time_T2");
phase = (int) (getval("phase") + 0.5);
sw1 = getval("sw1");
tofps = getval("tofps");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
getstr("fsat",fsat);
getstr("comp_flg",comp_flg);
getstr("f1180",f1180);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* selective H20 one-lobe sinc pulse */
if (pwHs > 0.0)
tpwrsl = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
else tpwrsl = 0.0;
tpwrsl = (int) (tpwrsl); /*power than a square pulse */
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
H2OsincA = pbox_Rsh("H2OsincA", "sinc90", pwHs, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
pwHs = H2OsincA.pw; tpwrsl = H2OsincA.pwr-1.0; /* 1dB correction applied */
pwn = pwN; dhpwr2 = pwNlvl;
}
if (tpwrsf_u < 4095.0)
{
tpwrsl = tpwrsl + 6.0;
pwr_delay = POWER_DELAY + PWRF_DELAY;
}
else pwr_delay = POWER_DELAY;
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }}
/* check validity of parameter range */
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' || dm2[C] == 'y' )
{
printf("incorrect Dec2 decoupler flags! Should be nnn ");
psg_abort(1);
}
if( tsatpwr > 8 )
{
printf("tsatpwr too large !!! ");
psg_abort(1);
}
if( dpwr2_cp > 61 )
{
printf("don't fry the probe, dpwr2_cp too large for cpmg !");
psg_abort(1);
}
if( ncyc > 100)
{
printf("ncyc exceeds 100. May be too much \n");
psg_abort(1);
}
if( time_T2 > 0.090 )
{
printf("total T2 recovery time exceeds 90 msec. May be too long \n");
psg_abort(1);
}
if( ncyc > 0)
{
tauCPMG = time_T2/(4*ncyc) - pwn_cp;
if( ix == 1 )
printf("nuCPMG for current experiment is (Hz): %5.3f \n",1/(4*(tauCPMG+pwn_cp)) );
}
else
{
tauCPMG = time_T2/4 - pwn_cp;
if( ix == 1 )
printf("nuCPMG for current experiment is (Hz): not applicable \n");
}
ncyc_max = time_T2/1e-3;
if( tauCPMG + pwn_cp < 0.000250)
{
printf("WARNING: value of tauCPMG must be larger than or equal to 250 us\n");
printf("maximum value of ncyc allowed for current time_T2 is: %5.2f \n",ncyc_max);
psg_abort(1);
}
if(gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3|| gt4 > 3e-3
|| gt5 > 3e-3 || gt6 > 3e-3 )
{
printf("gti must be less than 3e-3\n");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 2, phi1);
settable(t2, 8, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 1, phi5);
settable(t6, 1, phi6);
settable(t7, 8, rec);
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t4,2,4);
tsadd(t5,2,4);
tsadd(t6,2,4);
tsadd(t7,2,4);
}
/* Set up f1180 */
tau1 = d2;
if(f1180[A] == 'y')
tau1 += ( 1.0 / (2.0*sw1) - (pw + pwN*2.0/3.1415));
else
tau1 = tau1 - pw;
if(tau1 < 0.2e-6) tau1 = 0.2e-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(t2,2,4);
tsadd(t3,2,4);
tsadd(t7,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decpower(dpwr); /* Set decoupler1 power to dpwr */
decpower(pwClvl);
decpwrf(rfst);
decoffset(dof);
dec2power(dhpwr2); /* Set decoupler2 power to dhpwr2 */
/* Presaturation Period */
if(fsat[0] == 'y')
{
obspower(tsatpwr); /* Set power for presaturation */
obsoffset(tofps); /* move H carrier to the water */
rgpulse(d1,zero,rof1,rof1); /* presat. with transmitter */
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
obsoffset(tof);
status(B);
/* apply the compensation 15N pulses if desired */
if(comp_flg[A] == 'y') {
dec2power(dpwr2_comp); /* Set decoupler2 compensation power */
timeC = time_T2*(ncyc_max-ncyc)/ncyc_max;
dec2rgpulse(timeC,zero,0.0,0.0);
dec2power(dhpwr2);
}
rcvroff();
delay(20.0e-6);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,three,rof1,0.0);
else
shaped_pulse("H2Osinc_d",pwHs,three,rof1,0.0);
if (tpwrsf_d<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
rgpulse(pw,two,rof1,0.0);
txphase(zero);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 - gstab -2.0e-6); /* delay < 1/4J(XH) */
sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(t1);
delay(taua - gt1 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
if (BPpwrlimits > 0.5)
{
dec2power(dpwr2_cp -3.0); /* reduce for probe protection */
pwn_cp=pwn_cp*compN*1.4;
}
else
dec2power(dpwr2_cp); /* Set decoupler2 power to dpwr2_cp for CPMG period */
dec2rgpulse(pwn_cp,t1,rof1,2.0e-6);
dec2phase(zero);
/* start of the CPMG train for first period time_T2/2 on Ny(1-2Hz) */
if(ncyc > 0)
{
delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6);
dec2rgpulse(2*pwn_cp,one,0.0,0.0);
delay(tauCPMG);
}
if(ncyc > 1)
{
initval(ncyc-1,v4);
loop(v4,v5);
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,one,0.0,0.0);
delay(tauCPMG);
endloop(v5);
}
/* eliminate cross-relaxation */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
delay(taub - gt3 - gstab -2.0e-6 - pwn_cp);
/* composite 1H 90y-180x-90y on top of 15N 180x */
dec2rgpulse(pwn_cp-2*pw,zero,0.0e-6,0.0);
sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0);
sim3pulse(2*pw,0.0e-6,2*pw,zero,zero,zero,0.0,0.0);
sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0);
dec2rgpulse(pwn_cp-2*pw,zero,0.0,0.0e-6);
/* composite 1H 90y-180x-90y on top of 15N 180x */
delay(taub - gt3 - gstab -2.0e-6 - pwn_cp - 4.0*pw);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
/* start of the CPMG train for second period time_T2/2 on Nx(1-2Iz) */
if(ncyc > 1)
{
initval(ncyc-1,v4);
loop(v4,v5);
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,zero,0.0,0.0);
delay(tauCPMG);
endloop(v5);
}
if(ncyc > 0)
{
delay(tauCPMG);
dec2rgpulse(2*pwn_cp,zero,0.0,0.0);
delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6);
}
dec2phase(one);
dec2rgpulse(pwn_cp,one,2.0e-6,0.0);
delay(rof1);
dec2power(dhpwr2); /* Set decoupler2 power back to dhpwr2 */
dec2phase(t3);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
if(phase==1)
dec2rgpulse(pwn,t2,rof1,0.0);
if(phase==2)
dec2rgpulse(pwn,t3,rof1,0.0);
txphase(t4);
decphase(one);
dec2phase(zero);
/* 15N chemical shift labeling with optional 13C decoupling of Ca & C'*/
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tau1 - 0.5e-3);}
else delay(2.0*tau1);
/* finish of 15N shift labeling*/
rgpulse(pw,t4,0.0,0.0);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,t5,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,t5,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab/2.0);
delay(taua - pwr_delay - rof1 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - pwr_delay
- gt5 - gstab/2.0 -2.0e-6);
sim3pulse(2.0*pw,0.0,2.0*pwn,zero,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab/2.0);
delay(taua
- gt5 - 2.0e-6 -gstab
- pwr_delay - rof1 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - pwr_delay - 2.0e-6);
/* shaped pulse on water */
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,zero,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,zero,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse on water */
sim3pulse(pw,0.0e-6,pwn,zero,zero,t6,2.0e-6,0.0);
txphase(zero);
dec2phase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab/2.0);
delay(taua - gt6 - gstab/2.0 -2.0e-6 - pwr_delay
- pwHs);
initval(1.0,v3);
obsstepsize(phase_sl);
xmtrphase(v3);
obspower(tpwrsl);
if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,two,rof1,0.0);
else
shaped_pulse("H2Osinc_d",pwHs,two,rof1,0.0);
if (tpwrsf_d<4095.0) obspwrf(4095.0);
obspower(tpwr);
xmtrphase(zero);
sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,rof1,rof1);
initval(1.0,v3);
obsstepsize(phase_sl);
xmtrphase(v3);
obspower(tpwrsl);
if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u);
if (autocal[A] == 'y')
shaped_pulse("H2OsincA",pwHs,two,rof1,0.0);
else
shaped_pulse("H2Osinc_u",pwHs,two,rof1,0.0);
if (tpwrsf_u<4095.0) obspwrf(4095.0);
obspower(tpwr);
xmtrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab/2.0);
delay(taua - pwHs - gt6 - gstab/2.0 -2.0e-6
+ 2.0*pw/PI - pwn
- 2.0*POWER_DELAY);
dec2rgpulse(pwn,zero,0.0,0.0);
decpower(dpwr); /* lower power on dec */
dec2power(dpwr2); /* lower power on dec2 */
/* acquire data */
status(C);
setreceiver(t7);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
wudec[MAXSTR], /* automatic low power C-13 WURST decoupling */
C13refoc[MAXSTR], /* adiabatic C13 pulse in middle of t1*/
NH2only[MAXSTR]; /* spectrum of only NH2 groups */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni2 = getval("ni2");
double csa, sna, tau1, tau2, /* t1 and t2 delays */
bw, ofs, ppm, nst, /* bandwidth, offset, ppm, # of steps */
mix = getval("mix"), /* NOESY mix time */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
pra = M_PI*getval("pra")/180.0, /* projection angle */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* adjust for C13 amplifier compression */
pwC180 = 0.001, /* duration of C13 180 degree adiabatic pulse */
compH = getval("compH"), /* adjust for H1 amplifier compression */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback pulse */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs = 0.0, /* power for the pwHs ("H2Osinc") pulse */
xdel = 2.0*GRADIENT_DELAY + POWER_DELAY, /* xtra delay */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gzcal=getval("gzcal"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl6 = getval("gzlvl6"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
getstr("f1180",f1180);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
getstr("wudec",wudec);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t9,16,phi9);
settable(t10,1,phi10);
settable(t11,8,rec);
/* MAKE PBOX SHAPES */
if((FIRST_FID) && ((C13refoc[A]=='y') || (wudec[A]=='y'))) /* call Pbox */
{
ppm = getval("dfrq"); ofs = 0.0; nst = 1000; /* nst - number of steps */
bw = pwC*compC;
if(bw > 0.0)
{
bw = 0.1/bw; /* maximum bandwidth */
bw = pwC180*bw*bw;
}
else
bw = 200.0*ppm;
if(C13refoc[A]=='y')
adC180 = pbox_makeA("adC180", "wurst2i", bw, pwC180, ofs, compC*pwC, pwClvl, nst);
if(wudec[A]=='y')
wuCdec_lr = pbox_Adec("wurstC_lr", "CAWURST", bw, 0.01, ofs, compC*pwC, pwClvl);
}
if(pwHs > 1.0e-5) /* selective H20 one-lobe sinc pulse */
{
if(FIRST_FID)
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
tpwrs = H2Osinc.pwr;
pwHs = H2Osinc.pw;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((mix - gt4 - gt5) < 0.0 )
{ text_error("mix is too small. Make mix equal to %f or more.\n",(gt4 + gt5));
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( pw > 20.0e-6 )
{ text_error("dont fry the probe, pw too high ! "); psg_abort(1); }
if( pwN > 100.0e-6 )
{ text_error("dont fry the probe, pwN too high ! "); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
if (phase2 == 1)
{ tsadd(t10,2,4); icosel = 1; }
else icosel = -1;
/* set up 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-6) tau1 = 0.0;
if(tau2 < 0.2e-6) tau2 = 0.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); }
/* Correct inverted signals for NH2 only spectra */
if(NH2only[A]=='y') { tsadd(t3,2,4); }
if(wudec[A]=='y') xdel = xdel + POWER_DELAY + PWRF_DELAY + PRG_START_DELAY;
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(4095.0);
txphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /* destroy N15 and C13 magnetization */
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* 1H pulse excitation */
txphase(zero);
if (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY))
{
if (tau1>0.002)
{
zgradpulse(gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
}
else
{
delay(tau1-pwN-0.64*pw);
}
if (C13refoc[A]=='y')
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
else
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
if (tau1>0.002)
{
zgradpulse(-1.0*gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
}
else
{
delay(tau1-pwN-0.64*pw);
}
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
rgpulse(pw, zero, 0.0, 0.0);
delay(mix - gt4 - gt5 -gstab -200.0e-6);
dec2rgpulse(pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4);
delay(gstab);
rgpulse(pw, zero, 200.0e-6,0.0); /* HSQC begins */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(tNH - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(tNH - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(two);
if (tpwrsf<4095.0)
{
obspower(tpwrs+6.0); obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
decpwrf(adC180.pwrf);
delay(2.0e-4);
dec2rgpulse(pwN, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if (NH2only[A]=='y')
{
delay(tau2);
/* optional sech/tanh pulse in middle of t2 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{ decshaped_pulse("adC180", pwC180, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw); }
else
{ delay(tNH - 2.0*pw);}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau2);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else
{
if ( (C13refoc[A]=='y') && (tau2 > 0.5e-3 + WFG2_START_DELAY) )
{ delay(tau2 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "adC180", 2.0*pw, pwC180, zero, zero, 0.0, 0.0);
delay(tau2 - 0.5e-3);
delay(gt1 + 2.0e-4);}
else
{ delay(tau2);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau2); }
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if(mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(tNH - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(one);
delay(tNH - 1.5*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, gt5);
delay(tNH - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(1.5*gzlvl5, gt5);
delay(tNH - pwN - 0.5*pw - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4+ gstab - 0.5*pw + xdel);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y')
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else
zgradpulse(icosel*gzlvl2, gt1/10.0);
delay(gstab + rof2);
setreceiver(t11);
rcvron();
statusdelay(C,1.0e-4-rof1);
if(wudec[A]=='y')
{
decpwrf(4095.0);
decpower(wuCdec_lr.pwr+3.0);
decprgon("wurstC_lr", 1.0/wuCdec_lr.dmf, wuCdec_lr.dres);
decon();
}
}
