pulsesequence()
{
settable(t1,4,phasecycle);
dec3power(dpwr3);
diplexer_override(0);
delay(d1);
dec3rgpulse(pw, t1, rof1, rof2);
setreceiver(t1);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char
CA90_in_str[MAXSTR],
CA180_in_str[MAXSTR], CA180n_in_str[MAXSTR],
CO180offCA_in_str[MAXSTR],
RFpars[MAXSTR],
exp_mode[MAXSTR], /* flag to run 3D, or 2D time-shared 15N TROSY /13C HSQC-SE*/
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR],
f3180[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel=1.0; /* used to get n and p type */
double x,y,z, t2max, t1max, tpwrs,
tpwrsf_d = getval("tpwrsf_d"), /* fine power adustment for first soft pulse(down)*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power adustment for second soft pulse(up) */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
compH =getval("compH"),
tau1, tau2, /*evolution times in indirect dimensions */
ni2=getval("ni2"),
tauNH=getval("tauNH"), /* 1/(4Jhn), INEPTs, 2.4ms*/
tauNH1=getval("tauNH1"), /* 1/(4Jhn), TROSY in CN CT, 2.7ms*/
timeTN1=getval("timeTN1"), /* CT time for (first) N->CA*N transfer */
timeTN=getval("timeTN"), /* CT time for last SE TROSY */
timeCN=getval("timeCN"), /* CT time for CA -> N transfer, middle */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
dfrq = getval("dfrq"),
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
gstab = getval("gstab"),
g6bal= getval("g6bal"),
/* balance of the decoding gradient around last 180 pulse on 1H
g6bal=1.0 : full g6 is on the right side of the last pw180 on 1H
g6bal=0.0: full g6 is on the left side*/
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gt7 = getval("gt7"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7"),
gzlvl11 = getval("gzlvl11");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("exp_mode",exp_mode);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
if (tpwrsf_d<4095.0)
tpwrs=tpwrs+6.0; /* add 6dB to let tpwrsf_d control fine power ~2048*/
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,4,phi2); /* default double trosy */
if (exp_mode[A] == 'h') {settable(t2,4,phi2h);}; /*option for regular hNcaNH */
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t5,2,phi5);
settable(t6,4,phi6);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t21,1,psi1); /*trosy and SE hsqc in reverse INPET */
settable(t22,1,psi2);
settable(t23,1,psi2c);
settable(t31,8,rec);
/* some checks */
if((dm2[A] == 'y') || (dm2[B] == 'y') || (dm2[C] == 'y') || (dm2[D] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnnn' "); psg_abort(1); }
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr3 > 56 )
{ printf("dpwr3 too large! recheck value "); psg_abort(1);}
if ( (dm3[B] == 'y' ) && (timeCN*2.0 > 60.0e-3) )
{ printf("too lond time for 2H decoupling, SOL ");psg_abort(1);}
/* INITIALIZE VARIABLES */
if(FIRST_FID) /* call Pbox */
{
getstr("CA180_in_str",CA180_in_str); getstr("CA180n_in_str",CA180n_in_str);
getstr("CA90_in_str",CA90_in_str); getstr("CO180offCA_in_str",CO180offCA_in_str);
strcpy(RFpars, "-stepsize 0.5 -attn i");
CA180 = pbox("et_CA180_auto", CA180_in_str, RFpars, dfrq, compC*pwC, pwClvl);
CA180n = pbox("et_CA180n_auto", CA180n_in_str, RFpars, dfrq, compC*pwC, pwClvl);
CA90 = pbox("et_CA90_auto", CA90_in_str, RFpars, dfrq, compC*pwC, pwClvl);
CO180offCA = pbox("et_CO180offCA_auto", CO180offCA_in_str, RFpars, dfrq, compC*pwC, pwClvl);
};
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
/* t1 , N15 */
if (phase1 == 2) {tsadd(t2 ,1,4);}
if(d2_index % 2) {tsadd(t2,2,4); tsadd(t31,2,4); }
/* setting up semi-CT on t1 (ni) dimension */
tau1 = d2;
t1max=(ni-1.0)/sw1;
if((f1180[A] == 'y') && (ni > 0.0))
{tau1 += 0.5/sw1 ; t1max+= 0.5/sw1; }
if( t1max < timeTN1*2.0) {t1max=2.0*timeTN1;};
/* if not enough ni increments, then just regular CT in t1/ni CN */
/* t2, CA */
if (phase2 == 2) { tsadd(t3,1,4); }
if (d3_index % 2) { tsadd(t3,2,4); tsadd(t31,2,4); }
/* setup constant time in t2 (ni2) */
tau2 = d3;
t2max=2.0*(timeCN - CO180offCA.pw);
if((f2180[A] == 'y') && (ni2 > 0.0))
{tau2 += 0.5/sw2 ; t2max += 0.5/sw2 ;}
if(tau2 < 0.2e-6) {tau2 = 0.0;}
if ( (ni2-1.0)/sw2 > t2max)
{ text_error("too many ni2 increments in t2 ! "); psg_abort(1); }
if(FIRST_FID)
{
printf("t1max is %f\n",t1max);
printf("t2max is %f\n",t2max);
};
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
txphase(zero);
decphase(zero);
dec2phase(zero);
delay(d1);
zgradpulse(gzlvl2, gt2);
delay(gstab*3.0);
if (exp_mode[B]=='n') dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); /* test for steady-state 15N */
/* Hz -> HzXz INEPT */
rgpulse(pw,zero,rof1,rof1); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0);
delay(tauNH -gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH - gt0 -gstab);
zgradpulse(gzlvl0, gt0);
delay(gstab);
rgpulse(pw, t6, rof1, rof1);
/* on HzNz now */
/* water flipback*/
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc",pwHs,zero,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
/* purge */
zgradpulse(gzlvl3, gt3);
dec2phase(t2);
delay(gstab*2.0);
/* HzNz -> NzCAz +t1 evolution*/
dec2rgpulse(pwN, t2, 0.0, 0.0);
/* double-trosy hNcaNH */
delay(tauNH1 -pwHs-4.0*rof1 -pw
-2.0*POWER_DELAY -WFG_STOP_DELAY-WFG_START_DELAY);
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,two,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(pw, zero, rof1, rof1);
rgpulse(pw, t7, rof1, rof1);
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc",pwHs,t8,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
dec_c13_shpulse(CO180offCA,zero);
delay(tau1*0.5);
dec_c13_shpulse(CO180offCA,zero); dec2phase(zero);
delay( timeTN1 -tauNH1 -pwHs -4.0*rof1 -pw -2.0*POWER_DELAY
-WFG_STOP_DELAY -WFG_START_DELAY -CA180.pw -2.0*CO180offCA.pw
-3.0*(2.0*POWER_DELAY +WFG_STOP_DELAY +WFG_START_DELAY));
dec_c13_shpulse(CA180,zero);
delay(tau1*0.5 -timeTN1*tau1/t1max);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay( timeTN1 -tau1*timeTN1/t1max);
dec2rgpulse(pwN, zero, 0.0, 0.0);
/* on CAzNz now */
/* purge */
zgradpulse(gzlvl7, gt7);
delay(gstab);
if(dm3[B] == 'y')
{ dec3unblank();
if(1.0/dmf3>900.0e-6)
{
dec3power(dpwr3+6.0);
dec3rgpulse(0.5/dmf3, one, 1.0e-6, 0.0e-6);
dec3power(dpwr3);
}
else
dec3rgpulse(1.0/dmf3, one, 1.0e-6,0.0e-6);
dec3phase(zero);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
/* dec_c13_shpulse(CA90,t3);*/
/* t2 time, CA evolution */
decrgpulse(pwC,t3,0.0,0.0);
decphase(zero);
delay(0.5*(timeCN+tau2*0.5-CO180offCA.pw) );
dec_c13_shpulse(CO180offCA,zero);
delay(0.5*(timeCN+tau2*0.5-CO180offCA.pw) -pwN*2.0 + WFG_STOP_DELAY);
if (exp_mode[A]=='R') /* test CA.N relaxation rate */
{
delay(2.0*pwN);
}
else
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
dec_c13_shpulse(CA180n,zero);
delay(0.5*(timeCN-tau2*0.5-CO180offCA.pw) );
dec_c13_shpulse(CO180offCA,zero);
delay(0.5*(timeCN-tau2*0.5-CO180offCA.pw) + WFG_START_DELAY);
/*dec_c13_shpulse(CA90,zero);*/
decrgpulse(pwC,zero,0.0,0.0);
if(dm3[B] == 'y')
{
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
if(1.0/dmf3>900.0e-6)
{
dec3power(dpwr3+6.0);
dec3rgpulse(0.5/dmf3, three, 1.0e-6, 0.0e-6);
dec3power(dpwr3);
}
else
dec3rgpulse(1.0/dmf3, three, 1.0e-6, 0.0e-6);
dec3blank();
delay(PRG_START_DELAY);
}
zgradpulse(gzlvl5, gt5);
dec2phase(t4);
delay(gstab);
/* CaN->N + back to NH */
dec2rgpulse(pwN, t4, 0.0, 0.0);
dec2phase(zero);
delay(timeTN);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
dec_c13_shpulse(CA180,zero);
delay(timeTN - CA180.pw -gt4-gstab -pwHs-3.0*rof1
-4.0*POWER_DELAY -2.0*WFG_STOP_DELAY-2.0*WFG_START_DELAY
-2.0*GRADIENT_DELAY
+4.0*pwN/3.1415-pw);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/*Water flipback (flipdown actually ) */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc",pwHs,three,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
/* reverse double INEPT */
/* 90 */
rgpulse(pw, t21, rof1, rof1);
zgradpulse(gzlvl11, gt1);
delay(tauNH -gt1 -rof1
-CA180.pw -2.0*POWER_DELAY - WFG_STOP_DELAY- WFG_START_DELAY );
dec_c13_shpulse(CA180,zero);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH - gt1 -gstab);
zgradpulse(gzlvl11, gt1);
delay(gstab);
/* 90 */
sim3pulse(pw, 0.0, pwN, one, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(tauNH -gt1);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tauNH -POWER_DELAY -gt1- gstab);
zgradpulse(gzlvl1, gt1);
dec2phase(t22);
delay(gstab);
sim3pulse(0.0,0.0, pwN, one, zero, t22, 0.0, 0.0);
zgradpulse(-(1.0-g6bal)*gzlvl6*icosel, gt6); /* 2.0*GRADIENT_DELAY */
delay( gstab -pwN*0.5 +pw*(2.0/3.1415-0.5) );
rgpulse(2.0*pw, zero, rof1, rof1);
dec2power(dpwr2); decpower(dpwr);
zgradpulse(g6bal*gzlvl6*icosel, gt6); /* 2.0*GRADIENT_DELAY */
delay(gstab +2.0*POWER_DELAY );
status(C);
setreceiver(t31);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
f3180[MAXSTR], /* Flag to start t3 @ halfdwell */
fco180[MAXSTR], /* Flag for checking sequence */
fca180[MAXSTR], /* Flag for checking sequence */
spca180[MAXSTR], /* string for the waveform Ca 180 */
spco180[MAXSTR], /* string for the waveform Co 180 */
spchirp[MAXSTR], /* string for the waveform reburp 180 */
ddseq[MAXSTR], /* 2H decoupling seqfile */
shp_sl[MAXSTR], /* string for seduce shape */
sel_flg[MAXSTR];
int phase, phase2, phase3, ni2, ni3, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
t3_counter; /* used for states tppi in t3 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for c nucleus @ d_c90 */
pwc180on, /* PW180 at @ d_c180 */
pwchirp, /* PW180 for ca nucleus @ d_creb */
pwc180off, /* PW180 at d_c180 + pad */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90 = sqrt(15)/4delta)
delta is the separation between Ca and Co */
d_c180, /* power level for 180 13C pulses
(pwc180on=sqrt(3)/2delta */
d_chirp,
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sw3, /* sweep width in f3 */
pw_sl, /* pw90 for H selective pulse on water ~ 2ms */
phase_sl, /* phase for pw_sl */
tpwrsl, /* power level for square pw_sl */
pwDlvl, /* Power for D decoupling */
pwD, /* pw90 at pwDlvl */
pwC, pwClvl, /* C-13 calibration */
compC,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab, /* delay to compensate for gradient gt5 */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("fco180",fco180);
getstr("fca180",fca180);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("f3180",f3180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
zeta = getval("zeta");
bigTN = getval("bigTN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwN = getval("pwN");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
phase3 = (int) ( getval("phase3") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
sw3 = getval("sw3");
ni2 = getval("ni2");
ni3 = getval("ni3");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
if(autocal[0]=='n')
{
getstr("spca180",spca180);
getstr("spco180",spco180);
getstr("spchirp",spchirp);
pwc90 = getval("pwc90");
pwc180on = getval("pwc180on");
pwc180off = getval("pwc180off");
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
pwchirp = getval("pwchirp");
d_chirp = getval("d_chirp");
}
else
{
strcpy(spca180,"Phard180ca");
strcpy(spco180,"Phard180co");
strcpy(spchirp,"Pchirp180");
if (FIRST_FID)
{
pwC = getval("pwC");
compC = getval("compC");
pwClvl = getval("pwClvl");
co90 = pbox("cal", CO90, CO180ps, dfrq, pwC*compC, pwClvl);
co180 = pbox("cal", CO180, CO180ps, dfrq, pwC*compC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, pwC*compC, pwClvl);
co180a = pbox(spco180, CO180a, CA180ps, dfrq, pwC*compC, pwClvl);
chirp = pbox(spchirp, CHIRP, CHIRPps, dfrq, pwC*compC, pwClvl);
}
pwc90 = co90.pw; d_c90 = co90.pwr;
pwc180on = co180.pw; d_c180 = co180.pwr;
pwc180off = ca180.pw;
pwchirp = chirp.pw; d_chirp = chirp.pwr;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,2,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,4,phi5);
settable(t6,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( bigTN - (ni3-1)*0.5/sw3 - WFG3_START_DELAY < 0.2e-6 )
{
text_error(" ni3 is too big\n");
text_error(" please set ni3 smaller or equal to %d\n",
(int) ((bigTN -WFG3_START_DELAY)*sw3*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' || dm[D] == 'y' ))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dpwr3 > 50 )
{
text_error("don't fry the probe, dpwr3 too large! ");
psg_abort(1);
}
if( d_c90 > 62 )
{
text_error("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwc90 > 200.0e-6 )
{
text_error("dont fry the probe, pwc90 too high ! ");
psg_abort(1);
}
if( pwc180off > 200.0e-6 )
{
text_error("dont fry the probe, pwc180 too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
text_error("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3)
{
text_error("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
if((fca180[A] == 'y') && (ni2 > 1))
{
text_error("must set fca180='n' to allow Calfa evolution (ni2>1)\n");
psg_abort(1);
}
if((fco180[A] == 'y') && (ni > 1))
{
text_error("must set fco180='n' to allow CO evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t1,1,4);
if (phase2 == 2) tsadd(t5,1,4);
if (phase3 == 2) { tsadd(t4, 2, 4); icosel = 1; }
else icosel = -1;
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1)) {
if (pwc180off > 2.0*pwN)
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
else
tau1 += (1.0/(2.0*sw1) - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6);
if(tau1 < 0.2e-6) {
tau1 = 0.4e-6;
text_error("tau1 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau1 = tau1 - 4.0*pwc90/PI - pwc180off
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
else
tau1 = tau1 - 4.0*pwc90/PI - 2.0*pwN
- WFG3_START_DELAY - WFG3_STOP_DELAY - 4.0e-6 - 2.0*POWER_DELAY - 4.0e-6;
if(tau1 < 0.2e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1)) {
if (pwc180off > 2.0*pwN)
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6);
else
tau2 += ( 1.0 / (2.0*sw2) - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6);
if(tau2 < 0.2e-6) {
tau2 = 0.4e-6;
text_error("tau2 could be negative");
}
}
else
{
if (pwc180off > 2.0*pwN)
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - pwc180off - WFG3_STOP_DELAY - 4.0e-6;
else
tau2 = tau2 - 4.0*pwc90/PI - 4.0e-6
- 2.0*POWER_DELAY
- WFG3_START_DELAY - 2.0*pwN - WFG3_STOP_DELAY - 4.0e-6;
if(tau2 < 0.2e-6) tau2 = 0.4e-6;
}
tau2 = tau2/2.0;
/* Set up f3180 tau3 = t3 */
tau3 = d4;
if ((f3180[A] == 'y') && (ni3 > 1)) {
tau3 += ( 1.0 / (2.0*sw3) );
if(tau3 < 0.2e-6) tau3 = 0.4e-6;
}
tau3 = tau3/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d4_init = d4 ;
t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5 );
if(t3_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
decoffset(dof); /* set Dec1 carrier at Co */
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_chirp); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr); txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta );
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v3);
dec2stepsize(45.0);
dcplr2phase(v3);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
delay(zeta -WFG_START_DELAY -pwchirp -WFG_STOP_DELAY -2.0e-6);
dec2rgpulse(pwN,zero,2.0e-6,0.0);
}
dec2phase(zero); decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* t1 period for Co evolution begins */
if (fco180[A]=='n')
{
decpower(d_c180);
delay(tau1);
sim3shaped_pulse("",spca180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau1);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t1 period for Co evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(150.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwc90,t5,2.0e-6,0.0);
/* t2 period for Ca evolution begins */
if (fca180[A]=='n')
{
decphase(zero); dec2phase(zero);
decpower(d_c180);
delay(tau2);
sim3shaped_pulse("",spco180,"",0.0,pwc180off,2.0*pwN,zero,zero,zero,4.0e-6,0.0);
decpower(d_c90);
delay(tau2);
}
else /* for checking sequence */
{
decpower(d_c180);
decrgpulse(pwc180on,zero,4.0e-6,0.0);
decpower(d_c90);
}
/* t2 period for Ca evolution ends */
decrgpulse(pwc90,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof); /* set carrier back to Co */
decpower(d_chirp);
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(150.0e-6);
/* t3 period begins */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3);
dec2rgpulse(2.0*pwN,t3,0.0,0.0);
decshaped_pulse(spchirp,pwchirp,zero,0.0,0.0);
txphase(zero);
dec2phase(t4);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - WFG_START_DELAY - pwchirp - WFG_STOP_DELAY
-gt1 -500.2e-6 -2.0*GRADIENT_DELAY);
delay(tau3);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t4,0.0,0.0);
/* t3 period ends */
decpower(d_c90);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof-(174-56)*dfrq);
decrgpulse(pwc90,zero,20.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - pwc90 - 20.0e-6 - pwc90 - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
decoffset(dof);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
gt0,
gt1,
gt2,
gt3,
gt4,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
decstep1,
bw, ofs, ppm,
pwd1,
dpwr3_D,
pwd,
tpwrs,
pwHs,
dof_me,
tof_dtt,
tpwrs1,
pwHs1,
dpwrsed,
pwsed,
dressed,
rfrb_cg,
pwrb_cg;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
tofps = getval("tofps");
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
BigTC1 = getval("BigTC1");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
decstep1 = getval("decstep1");
pwd1 = getval("pwd1");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
pwHs1 = pwHs;
tpwrs=-16.0; tpwrs1=tpwrs;
tof_dtt = getval("tof_dtt");
dpwrsed = -16;
pwsed = 1000.0;
dressed = 90.0;
pwrb_cg = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 20.0*ppm; ofs = 136.0*ppm;
cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl);
if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! ");
if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! ");
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs); tpwrs1=tpwrs;
dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres;
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,8,phi5);
settable(t6,8,phi6);
settable(t7,8,phi7);
settable(t8,1,phi8);
settable(t9,2,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(dpwr3_D > 49)
{
printf("dpwr3_D is too high; < 50\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if(dpwrsed > 48)
{
printf("dpwrsed must be less than 49\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
if(ix==1) {
printf("make sure that BigTC1 is set properly for your application\n");
printf("7 ms, neglecting relaxation \n");
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t1,1,4);
tsadd(t2,1,4);
tsadd(t3,1,4);
tsadd(t4,1,4);
}
if (phase2 == 2)
tsadd(t8,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 2.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t9,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t8,2,4);
tsadd(t9,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to low power */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
decoffset(dof_me);
lk_hold();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs1);
shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab);
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
if(C_flg[A] == 'n') {
decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6);
decprgon(cosed.name,pwsed,dressed);
decon();
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(tau1);
decoff();
decprgoff();
decblank();
decpower(pwClvl);
}
else
simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6);
decrgpulse(pwC,t5,2.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t6);
if(taub > pwrb_cg)
delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t6,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC1 - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t7);
decpwrf(4095.0);
delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2H decoupling off */
decrgpulse(pwC,t7,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t8);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t8,4.0e-6,0.0);
decoffset(dof_me);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 -gstab
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - POWER_DELAY - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t9);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
sh_reb[MAXSTR],
codec[MAXSTR],
MQ_flg[MAXSTR],
filter_flg[MAXSTR];
int phase,
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
taua, /* set to exactly 1/4JCH */
tsatpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
tpwr_cp, /* power level for 1H CPMG */
pw_cp, /* 1H pw for CPMG */
ncyc_cp, /* number of CPMG cycles */
time_T2, /* total time for CPMG trains */
tau_cpmg,
dhpwr,
pwc,
dmf_co,
dpwr_co,
dresco,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
tpwr,
pw,
d_reb,
pwc_reb,
dpwr3_D,
pwd,
pwd1,
tau_eq,
pwn,
dhpwr2;
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("sh_reb",sh_reb);
getstr("codec",codec);
getstr("MQ_flg",MQ_flg);
getstr("filter_flg",filter_flg);
taua = getval("taua");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
tpwr_cp = getval("tpwr_cp");
pw_cp = getval("pw_cp");
ncyc_cp = getval("ncyc_cp");
time_T2 = getval("time_T2");
dhpwr = getval("dhpwr");
pwc = getval("pwc");
pwn = getval("pwn");
dhpwr2 = getval("dhpwr2");
dmf_co = getval("dmf_co");
dpwr_co = getval("dpwr_co");
dresco = getval("dresco");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
tpwr = getval("tpwr");
pw = getval("pw");
d_reb = getval("d_reb");
pwc_reb = getval("pwc_reb");
dpwr3_D = getval("dpwr3_D");
pwd = getval("pwd");
pwd1 = getval("pwd1");
tau_eq = getval("tau_eq");
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,2,phi2);
settable(t4,8,phi4);
settable(t5,4,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
abort(1);
}
if(tpwr_cp > 62)
{
printf("don't fry the probe, tpwr_cp too large: < 62! ");
abort(1);
}
if(pw_cp < 9.5e-6) {
printf("pw_cp is too low; > 9.5us\n");
abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
abort(1);
}
if(gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3 || gt4 > 3e-3
|| gt5 > 3e-3 || gt6 > 3e-3)
{
printf("gradients on for too long. Must be < 3e-3 \n");
abort(1);
}
if(ncyc_cp > 80) {
printf("ncyc_cp is too large; must be less than 81\n");
abort(1);
}
if(time_T2 > .080) {
printf("time_T2 is too large; must be less than 80 ms\n");
abort(1);
}
if(ncyc_cp > 0) {
tau_cpmg = time_T2/(4.0*ncyc_cp) - pw_cp;
if(ix==1)
printf("nuCPMG for curent experiment is (Hz): %5.3f\n",1/(4.0*(tau_cpmg+pw_cp)));
}
else {
tau_cpmg = time_T2/(4.0) - pw_cp;
if(ix==1)
printf("nuCPMG for curent experiment is (Hz): not applicable");
}
if(tau_cpmg + pw_cp < 125e-6) {
printf("tau_cpmg is too small; decrease ncyc_cp\n");
abort(1);
}
if(dpwr_co > 42) {
printf("dpwr_co is too high; < 42\n");
abort(1);
}
if(dpwr3_D > 51) {
printf("dpwr3_D is too high; < 52\n");
abort(1);
}
if(dpwr3 > 59) {
printf("dpwr3 is too high; < 60\n");
abort(1);
}
if(ix==1)
printf("If at 800 turn dpwr3=-16, pwd1=0\n");
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t1,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(MQ_flg[A] == 'n')
tau1 = tau1 - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY
- 2.0*pw - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY
- 4.0e-6;
else
tau1 = tau1 - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY
- 2.0*pw - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY
- 4.0e-6;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1));
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
if(tau1 < 0.4e-6)
tau1 = 0.4e-6;
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
rlpower(tsatpwr,TODEV); /* Set transmitter power for 1H presaturation */
rlpower(dhpwr,DODEV); /* Set Dec1 power for 13C pulses */
rlpower(dhpwr2,DO2DEV); /* Set Dec2 power for 15N pulses */
obsoffset(tof);
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
rlpower(tpwr,TODEV); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
rlpower(tpwr,TODEV); /* Set transmitter power for 1H CPMG pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
rcvroff();
delay(20.0e-6);
decrgpulse(pwc,zero,4.0e-6,0.0);
delay(2.0e-6);
rgradient('z',gzlvl1);
delay(gt1);
rgradient('z',0.0);
delay(250.0e-6);
rgpulse(pw,zero,0.0,0.0);
decpower(d_reb);
delay(2.0e-6);
rgradient('z',gzlvl2);
delay(gt2);
rgradient('z',0.0);
delay(150.0e-6);
if(filter_flg[A] == 'y')
delay(taua - POWER_DELAY - gt2 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb - 4.0/PI*pw);
else
delay(taua - POWER_DELAY - gt2 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
txphase(one);
decpower(dhpwr);
decphase(t4);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - POWER_DELAY - gt2 - 152e-6 );
delay(2.0e-6);
rgradient('z',gzlvl2);
delay(gt2);
rgradient('z',0.0);
delay(150.0e-6);
if(filter_flg[A] == 'n')
rgpulse(pw,one,0.0,0.0);
if(filter_flg[A] == 'y') {
decrgpulse(pwc,t4,0.,0.);
decpower(d_reb);
decphase(zero);
delay(2.0e-6);
rgradient('z',gzlvl0);
delay(gt0);
rgradient('z',0.0);
delay(150.0e-6);
delay(taua - POWER_DELAY - gt0 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
txphase(one);
decpower(dhpwr);
decphase(t4);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - POWER_DELAY - gt0 - 152e-6 );
delay(2.0e-6);
rgradient('z',gzlvl0);
delay(gt0);
rgradient('z',0.0);
delay(150.0e-6);
decrgpulse(pwc,t4,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
}
decphase(t1);
delay(2.0e-6);
rgradient('z',gzlvl3);
delay(gt3);
rgradient('z',0.0);
delay(250.0e-6);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D);
dec3prgon(dseq3,pwd,dres3);
dec3on();
/* turn on 2H decoupling */
if(MQ_flg[A] == 'y') {
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.0*pwn - PRG_START_DELAY - PRG_STOP_DELAY);
}
decrgpulse(pwc,t1,4.0e-6,0.0);
decphase(zero);
/* 13CO decoupling on */
decpower(dpwr_co);
decprgon(codec,1.0/dmf_co,dresco);
decon();
/* 13CO decoupling on */
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
dec2rgpulse(2.0*pwn,zero,0.0,0.0);
delay(tau1);
/* 13CO decoupling off */
decoff();
decprgoff();
/* 13CO decoupling off */
decpower(dhpwr);
decrgpulse(pwc,zero,4.0e-6,0.0);
if(MQ_flg[A] == 'y')
rgpulse(pw,zero,0.0,0.0);
/* turn off decoupling */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* turn off decoupling */
obspower(tpwr_cp);
if(MQ_flg[A] == 'n') {
delay(2.0e-6);
rgradient('z',gzlvl4);
delay(gt4);
rgradient('z',0.0);
delay(250.0e-6);
}
else {
delay(2.0e-6);
rgradient('z',-1.0*gzlvl4);
delay(gt4);
rgradient('z',0.0);
delay(250.0e-6);
}
/* now include a delay to allow the spin system to equilibrate */
delay(tau_eq);
rgpulse(pw_cp,t2,4.0e-6,0.0);
txphase(one);
/* start of the CPMG period 1 */
if(ncyc_cp == 1) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
if(ncyc_cp == 2) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
if(ncyc_cp > 2) {
delay(tau_cpmg - (2.0/PI)*pw_cp);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
initval(ncyc_cp-2,v4);
loop(v4,v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
endloop(v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
}
txphase(t4); decphase(zero);
rgpulse(2.0*pw_cp,t4,2.0e-6,2.0e-6);
txphase(one);
if(ncyc_cp == 1) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
if(ncyc_cp == 2) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
if(ncyc_cp > 2) {
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
initval(ncyc_cp-2,v4);
loop(v4,v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0);
delay(tau_cpmg);
endloop(v5);
delay(tau_cpmg);
rgpulse(2.0*pw_cp,one,0.0,0.0); txphase(one);
delay(tau_cpmg - 2.0/PI*pw_cp);
}
rgpulse(pw_cp,zero,0.0,0.0);
delay(2.0e-6);
rgradient('z',gzlvl5);
delay(gt5);
rgradient('z',0.0);
delay(250.0e-6);
obspower(tpwr);
rgpulse(pw,zero,4.0e-6,0.0);
decpower(d_reb);
delay(2.0e-6);
rgradient('z',gzlvl6);
delay(gt6);
rgradient('z',0.0);
delay(150.0e-6);
delay(taua - POWER_DELAY - gt6 - 152e-6
- WFG2_START_DELAY - 0.5*pwc_reb);
simshaped_pulse("hard",sh_reb,2.0*pw,pwc_reb,zero,zero,0.0,0.0);
delay(taua - 0.5*pwc_reb - WFG2_STOP_DELAY - 2.0*POWER_DELAY - gt6 - 152e-6);
rlpower(dpwr,DODEV); /* Set power for decoupling */
rlpower(dpwr2,DO2DEV); /* Set power for decoupling */
delay(2.0e-6);
rgradient('z',gzlvl6);
delay(gt6);
rgradient('z',0.0);
delay(150.0e-6);
rgpulse(pw,zero,0.0,0.0);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
codecseq[MAXSTR],
ddseq[MAXSTR],
shca180[MAXSTR],
shca90[MAXSTR];
int phase, ni,
t1_counter, /* used for states tppi in t1 */
tau2;
double tau1, /* t1 delay */
taua, /* ~ 1/4JCH = 1.7 ms */
taub, /* ~ 1/2JCH for AX spin systems */
taud, /* ~ 1/4JCD 12.5 ms for AX spin system */
TC, /* carbon constant time period 1/2JCC */
pwc, /* 90 c pulse at dhpwr */
tsatpwr, /* low level 1H trans.power for presat */
dhpwr, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
time_T2, /* total relaxation time for T2 measurement */
pwcodec, /* pw90 for C' decoupling */
dressed, /* = 2 for seduce-1 decoupling */
dpwrsed,
pwd, /* pulse width for D decoupling at dpwr3_D */
dresD,
dpwr3_D,
lk_wait, /* delay for lk receiver recovery */
pwd1, /* pulse width for D +/- pulses at dpwr3 */
d_ca180,
pwca180,
pwca90, /* ca selective pulse at 57.5 ppm */
d_ca90, /* power level for pwca90 */
dpwr3_sl, /* D power level for spin locking */
pwd_sl, /* pw for D at dpwr3_sl */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gstab=getval("gstab"),
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("codecseq",codecseq);
getstr("ddseq",ddseq);
getstr("shca180",shca180);
getstr("shca90",shca90);
taua = getval("taua");
taub = getval("taub");
taud = getval("taud");
TC = getval("TC");
pwc = getval("pwc");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dhpwr = getval("dhpwr");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
pwcodec = getval("pwcodec");
dressed = getval("dressed");
dpwrsed = getval("dpwrsed");
pwd = getval("pwd");
dresD = getval("dresD");
dpwr3_D = getval("dpwr3_D");
lk_wait = getval("lk_wait");
pwd1 = getval("pwd1");
d_ca180 = getval("d_ca180");
pwca180 = getval("pwca180");
pwca90 = getval("pwca90");
d_ca90 = getval("d_ca90");
dpwr3_sl = getval("dpwr3_sl");
pwd_sl = getval("pwd_sl");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
/* LOAD PHASE TABLE */
settable(t1,16,phi1);
settable(t2,2,phi2);
settable(t3,16,phi3);
settable(t4,4,phi4);
settable(t6,4,phi6);
settable(t7,8,phi7);
settable(t5,16,rec_d);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( TC - 0.50*(ni-1)*1/(sw1) - WFG_STOP_DELAY
- gt6 - 102e-6 - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY
- 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY - PRG_STOP_DELAY
- 2.0e-6 - POWER_DELAY - 2.0e-6
< 0.2e-6 )
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y'))
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 49 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( dhpwr > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 ||
gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3
|| gt8 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if(dpwr3_D > 54)
{
printf("D decoupling power is too high\n");
psg_abort(1);
}
if(lk_wait > .015 )
{
printf("lk_wait delay may be too long\n");
psg_abort(1);
}
/* change back to 48 */
if(dpwr3_sl > 53) {
printf("dpwr3_sl is too large; must be less than 53\n");
psg_abort(1);
}
/* change back to 250 */
if(pwd_sl < 170.0e-6) {
printf("pwd_sl is too large; Must be larger than 170 us\n");
psg_abort(1);
}
/* Calculation of IzCzDz relaxation delay */
tau2 = (int) (d3+0.1);
time_T2 = z_array[tau2];
if(time_T2 > 0.030) {
printf("time_T2 is too long; Must be less than 30 ms\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t7,1,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 0.4e-6;
}
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t7,2,4);
tsadd(t5,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
status(B);
if (fsat[0] == 'y')
{
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(C);
/* Prepare for signs of gradients 0 1 0 1 0 1 */
mod2(ct,v1);
rcvroff();
lk_hold();
delay(20.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwc,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
txphase(one); decphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(2.0e-6);
delay(taua - gt2 - 4.0e-6);
rgpulse(pw,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
decrgpulse(pwc,t1,2.0e-6,0.0);
decphase(zero);
delay(taub - 2.0*pw - 2.0e-6);
rgpulse(pw,zero,0.0,0.0);
rgpulse(pw,t2,2.0e-6,0.0);
delay(TC - taub
- gt4 - 102e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
initval(1.0,v3);
decstepsize(353.0);
dcplrphase(v3);
decpower(d_ca180);
decshaped_pulse(shca180,pwca180,zero,4.0e-6,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
endif(v1);
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud - WFG_STOP_DELAY - gt4 - 102e-6
- POWER_DELAY - 4.0e-6 - pwd1 - POWER_DELAY
- PRG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
decphase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupling off */
delay(taud - PRG_STOP_DELAY -POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- WFG_START_DELAY - pwca90 - 4.0e-6
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decpower(d_ca90);
decshaped_pulse(shca90,pwca90,t3,4.0e-6,0.0);
decpower(dhpwr);
decrgpulse(pwc,one,4.0e-6,0.0);
/* T2 period */
dec3power(dpwr3);
dec3rgpulse(pwd1,t4,2.0e-6,0.0);
dec3phase(one);
dec3power(dpwr3_sl);
dec3rgpulse(time_T2,one,2.0e-6,2.0e-7);
dec3phase(zero);
dec3power(dpwr3);
dec3rgpulse(pwd1,zero,2.0e-6,0.0);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl5,gt5);
delay(gstab);
endif(v1);
decphase(zero);
decrgpulse(pwc,t7,4.0e-6,0.0);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
if(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6 >= tau1) {
delay(tau1);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(taud + 3.0*POWER_DELAY + 2.0*PRG_START_DELAY + pwd1 + 4.0e-6
- tau1);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - taud + tau1 - POWER_DELAY
- PRG_START_DELAY - 2.0*pw
- POWER_DELAY - pwd1 - 4.0e-6 - POWER_DELAY - PRG_START_DELAY
- 3.0*POWER_DELAY - 2.0*PRG_START_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- PRG_STOP_DELAY
- POWER_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
else {
delay(taud);
/* 2D decoupling on */
dec3phase(t6);
dec3power(dpwr3);
dec3rgpulse(pwd1,t6,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(tau1 - taud - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY - PRG_START_DELAY);
rgpulse(2.0*pw,zero,0.0,0.0);
delay(TC
- 2.0*pw - PRG_STOP_DELAY - POWER_DELAY - pwd1 - 4.0e-6
- POWER_DELAY
- PRG_STOP_DELAY - gt6 - 102e-6
- WFG_START_DELAY);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
/* C' decoupling off */
decoff();
decprgoff();
decpower(d_ca180); /* set power for reburp */
/* C' decoupling off */
}
initval(1.0,v4);
decstepsize(353.0);
dcplrphase(v4);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dcplrphase(zero);
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl6,gt6);
delay(gstab);
endif(v1);
/* C' decoupling on */
decpower(dpwrsed);
decprgon(codecseq,pwcodec,dressed);
decon();
/* C' decoupling on */
/* 2D decoupling on */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(pwd1,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3power(dpwr3_D); /* keep power down */
dec3prgon(ddseq,pwd,dresD);
dec3on();
/* 2D decoupling on */
delay(TC - tau1 - WFG_STOP_DELAY - gt6
- 102e-6 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - pwd1
- 4.0e-6 - POWER_DELAY - PRG_START_DELAY - PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6);
/* C' decoupling off */
decoff();
decprgoff();
decpower(dhpwr);
/* C' decoupling off */
decrgpulse(pwc,one,4.0e-6,0.0);
/* 2D decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3phase(three);
dec3power(dpwr3);
dec3rgpulse(pwd1,three,4.0e-6,0.0);
/* 2D decoupler off */
ifzero(v1);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(gstab);
elsenz(v1);
delay(2.0e-6);
zgradpulse(-1.0*gzlvl7,gt7);
delay(gstab);
endif(v1);
delay(lk_wait); /* delay for lk receiver recovery */
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
decphase(zero);
delay(taua - gt8 - 4.0e-6);
simpulse(2*pw,2*pwc,zero,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(2.0e-6);
delay(taua - 2*POWER_DELAY - gt8 - 4.0e-6);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,rof2);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(D);
setreceiver(t5);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
int t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
TC = getval("TC"), /* Constant delay 1/(JCC) ~ 13.5 ms */
mix = getval("mix"), /* TOCSY mixing time */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Cab (46ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (46ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
sw1 = getval("sw1"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gstab = getval("gstab"),
ppm,
co_ofs = getval("co_ofs"), /* offset for C' */
co_bw = getval("co_bw"), /* bandwidth for C' */
copwr = getval("copwr"), /* power for C' decoupling. Get from CO_dec.DEC*/
codmf = getval("codmf"), /* dmf for C' decoupling. Get from CO_dec.DEC */
codres = getval("codres"), /* dres for C' decoupling. Get from CO_dec.DEC */
mixbw, /* band width for mixing shape */
mixpwr = getval("mixpwr"), /* power for CC mixing. Get from ccmix.DEC*/
mixdmf= getval("mixdmf"), /* dmf for CC decoupling. Get from ccmix.DEC */
mixdres = getval("mixdres"); /* dres for CC decoupling. Get from ccmix.DEC */
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,1,phi2);
settable(t3,1,phi3);
settable(t12,2,rec);
setautocal(); /* activate auto-calibration */
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Cab, null at CO 128ppm away */
pwC1 = sqrt(15.0)/(4.0*128.0*sfrq);
rf1 = (compC*4095.0*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Cab, null at CO 128ppm away */
pwC2 = sqrt(3.0)/(2.0*128.0*sfrq);
rf2 = (4095.0*compC*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4295 )
{ printf("increase pwClvl"); psg_abort(1);}
if(( rf2 > 4095 ) && (rf2 <4296)) rf2=4095;
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni*1/(sw1) > TC)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((TC)*2.0*sw1))); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t1,1,4);
tau1 = d2;
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(t12,2,4); }
if (autocal[0] == 'y')
{
if(FIRST_FID)
{
ppm = getval("sfrq");
ofs_check(C13ofs);
co_ofs = (C13ofs+118.0)*ppm; co_bw = 20*ppm;
CO_dec = pbox_Dsh("CO_dec", "SEDUCE1", co_bw, co_ofs, pwC*compC, pwClvl);
copwr = CO_dec.pwr; codmf = CO_dec.dmf; codres = CO_dec.dres;
mixbw = sw1;
mix_seq = pbox_Dsh("mix_seq", "FLOPSY8", mixbw, 0.0, pwC*compC, pwClvl);
mixpwr = mix_seq.pwr; mixdmf = mix_seq.dmf; mixdres = mix_seq.dres;
}
}
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(pwClvl);
decpower(tpwr);
dec2power(dpwr2);
dec3power(dpwr3);
obspwrf(rf1); /*fine power for Cab 90 degree pulse */
obsoffset(tof); /*13C carrier at 46 ppm */
txphase(zero);
delay(1.0e-5);
status(B);
rgpulse(pwC1, t1, 0.0,0.0);
/* xxxxxxxxxxxxxxxxxxxxxx 13Cab Constant Time Evolution xxxxxxxxxxxxxxxxxx */
obspower(copwr); obspwrf(rf0); txphase(zero);
obsunblank();
xmtron();
obsprgon("CO_dec",1.0/codmf,codres);
if ( dm3[B] == 'y' ) /* turns on 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
delay(TC - tau1 - pwC2/2 - 1/dmf3);
}
else
delay(TC - tau1 - pwC2/2);
obsprgoff();
xmtroff();
obsblank();
obspower(pwClvl); obspwrf(rf2);
rgpulse(pwC2, zero, 0.0, 0.0);
obspower(copwr); obspwrf(rf0); txphase(zero);
obsunblank();
xmtron();
obsprgon("CO_dec",1.0/codmf,codres);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(TC + tau1 - pwC2/2 - 1/dmf3);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
else
delay(TC + tau1 - pwC2/2);
obsprgoff();
xmtroff();
obsblank();
obspower(pwClvl); obspwrf(rf1);
rgpulse(pwC1,t2,0.0,0.0);
status(C);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxx FLOPSY 8 Spin lock for mixing xxxxxxxxxxxxxxxxxxxx */
obspower(mixpwr); obspwrf(rf0); txphase(zero);
obsunblank();
xmtron();
obsprgon("mix_seq",1.0/mixdmf,mixdres);
delay(mix-gt1-gt2);
obsprgoff();
xmtroff();
obsblank();
obspower(pwClvl); obspwrf(rf1);
zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(pwC1,t3,0.0,rof2);
getelem(t3,ct,v3);
add(v3,one,v3);
obspower(pwClvl); obspwrf(rf0);
delay(350e-6-rof2);
rgpulse(pwC*2.0,v3,0.0,0.0);
delay(350e-6);
status(D);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ fulldwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C_flg[MAXSTR],
dtt_flg[MAXSTR];
int phase, phase2, ni, ni2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JHC = 1.6 ms */
taub, /* 1/6JCH = 1.1 ms */
BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */
pwN, /* PW90 for 15N pulse @ pwNlvl */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcrb180, /* PW180 for C 180 reburp @ rfrb */
pwClvl, /* power level for 13C pulses on dec1 */
compC, compH, /* compression factors for H1 and C13 amps */
rfrb, /* power level for 13C reburp pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
bw, ofs, ppm,
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
decstep1,
decstep2,
decstep3,
tpwrs,
pwHs,
dof_me, rfrb_cg, rfrb_co, pwrb_co, pwrb_cg,
tof_dtt,
rfca90,
pwca90,
rfca180,
pwca180,
pwco90,
dofCO;
/* LOAD VARIABLES */
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("C_flg",C_flg);
getstr("dtt_flg",dtt_flg);
taua = getval("taua");
taub = getval("taub");
BigTC = getval("BigTC");
pwC = getval("pwC");
pwcrb180 = getval("pwcrb180");
pwN = getval("pwN");
tpwr = getval("tpwr");
pwClvl = getval("pwClvl");
compC = getval("compC");
compH = getval("compH");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
ni2 = getval("ni2");
gstab = getval("gstab");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
decstep1 = getval("decstep1");
decstep2 = getval("decstep2");
decstep3 = getval("decstep3");
pwHs = getval("pwHs");
dof_me = getval("dof_me");
tof_dtt = getval("tof_dtt");
dofCO = getval("dofCO");
tpwrs = 0.0;
setautocal(); /* activate auto-calibration */
if(FIRST_FID) /* make shapes */
{
ppm = getval("dfrq");
bw = 80.0*ppm;
rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl);
bw = 8.125*ppm; ofs = -24.0*ppm;
rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 60*ppm; ofs = 136.0*ppm;
rb180_co = pbox_make("rb180_coP", "reburp", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = -118.0*ppm;
ca180 = pbox_make("ca180P", "square180n", bw, ofs, compC*pwC, pwClvl);
bw = 118.0*ppm; ofs = 18.0*ppm;
ca90 = pbox_make("ca90P", "square90n", bw, ofs, compC*pwC, pwClvl);
}
pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */
pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */
pwrb_co = rb180_co.pw; rfrb_co = rb180_co.pwrf; /* set up parameters */
pwca90 = ca90.pw; rfca90 = ca90.pwrf; /* set up parameters */
pwca180 = ca180.pw; rfca180 = ca180.pwrf; /* set up parameters */
pwco90 = pwca90;
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */
tpwrs = (int) (tpwrs);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t6,16,phi6);
settable(t7,8,phi7);
settable(t8,8,phi8);
settable(t9,8,phi9);
settable(t10,1,phi10);
settable(t11,8,phi11);
settable(t12,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6
< 0.2e-6 )
{
printf(" ni2 is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 9 )
{
printf("SATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 48 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcrb180 > 500.0e-6 )
{
printf("dont fry the probe, pwcrb180 too high ! ");
psg_abort(1);
}
if(dpwr3 > 51)
{
printf("dpwr3 is too high; < 52\n");
psg_abort(1);
}
if(d1 < 1)
{
printf("d1 must be > 1\n");
psg_abort(1);
}
if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 ||
gt3 > 5.0e-3 || gt4 > 5.0e-3 || gt5 > 5.0e-3 || gt6 > 5.0e-3 )
{ printf(" all values of gti must be < 5.0e-3\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) {
tsadd(t11,1,4);
}
if (phase2 == 2)
tsadd(t10,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
tau1 = tau1 - 4.0/PI*pwco90 - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwca180 - WFG_STOP_DELAY - POWER_DELAY - 2.0*pwN;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
if(tau1 < 0.4e-6) tau1 = 4.0e-7;
}
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.4e-6) tau2 = 4.0e-7;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t11,2,4);
tsadd(t12,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t10,2,4);
tsadd(t12,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(pwNlvl); /* Set Dec2 to high power */
/* Presaturation Period */
if (satmode[A] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(t1);
decphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
decoffset(dof_me);
lk_hold(); lk_sampling_off();
rcvroff();
delay(20.0e-6);
/* ensure that magnetization originates on 1H and not 13C */
if(dtt_flg[A] == 'y') {
obsoffset(tof_dtt);
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,10.0e-6,0.0);
obspower(tpwr);
obsoffset(tof);
}
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
delay(taua - gt1 -gstab -2.0e-6 );
simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0);
txphase(one);
delay(taua - gt1 - gstab -2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
rgpulse(pw,one,0.0,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
decoffset(dof); /* jump 13C to 40 ppm */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t2);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
/* turn on 2H decoupling */
dec3phase(one);
dec3power(dpwr3);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - 4.0e-6 - 1/dmf3
- POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t3);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t3,0.0,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t4);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t4,0.0,0.0);
decpwrf(rfrb_co); decphase(zero);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(rfrb);
delay(taub - (2.0/PI)*pwC - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep2);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero); decpwrf(rfrb_co);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0);
decphase(t5);
decpwrf(rfca90);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY
- WFG_START_DELAY - (2.0/PI)*pwca90);
decshaped_pulse(ca90.name,pwca90,t5,0.0,0.0);
decoffset(dofCO);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
/* 2H decoupling off */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decrgpulse(pwco90,t11,4.0e-6,0.0);
if(C_flg[A] == 'n') {
decpwrf(rfca180);
delay(tau1);
decshaped_pulse(ca180.name,pwca180,zero,4.0e-6,0.0);
decpwrf(rfca90); decphase(zero);
dec2rgpulse(2.0*pwN,zero,0.0,0.0);
delay(tau1);
}
else
decrgpulse(2.0*pwco90,zero,4.0e-6,4.0e-6);
decrgpulse(pwco90,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
/* turn on 2H decoupling */
dec3phase(one);
dec3rgpulse(1/dmf3,one,4.0e-6,0.0);
dec3phase(zero);
dec3unblank();
dec3prgon(dseq3,1/dmf3,dres3);
dec3on();
/* turn on 2H decoupling */
decoffset(dof);
decpwrf(rfca90);
decshaped_pulse(ca90.name,pwca90,t6,4.0e-6,0.0);
decpwrf(rfrb_co); decphase(zero);
delay(taub - WFG_STOP_DELAY - (2.0/PI)*pwca90 - POWER_DELAY - WFG_START_DELAY
- pwrb_co - WFG_STOP_DELAY - 2.0e-6
- WFG_START_DELAY);
decshaped_pulse(rb180_co.name,pwrb_co,zero,0.0,0.0);
decpwrf(rfrb);
initval(1.0,v3);
decstepsize(decstep3);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_co);
delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY
- pwcrb180 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- (2.0/PI)*pwC);
decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */
decpwrf(4095.0);
decrgpulse(pwC,t7,4.0e-6,0.0);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(rfrb);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY
- 2.0e-6 - WFG_START_DELAY);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0);
dcplrphase(zero);
decpwrf(rfrb_cg); decphase(zero);
delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY
- POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg);
decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0);
decpwrf(4095.0); decphase(t8);
delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY);
decrgpulse(pwC,t8,0.0,0.0);
decphase(zero);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t9);
decpwrf(4095.0);
delay(BigTC - WFG_STOP_DELAY - POWER_DELAY
- PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - 1/dmf3);
/* 2H decoupling off */
dec3off();
dec3prgoff();
dec3blank();
dec3rgpulse(1/dmf3,three,4.0e-6,0.0);
lk_autotrig();
/* 2H decoupling off */
decrgpulse(pwC,t9,0.0,0.0);
decphase(zero);
delay(tau2);
rgpulse(2.0*pw,zero,0.0,0.0);
initval(1.0,v3);
decstepsize(decstep1);
dcplrphase(v3);
decpwrf(rfrb);
delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY);
decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0);
dcplrphase(zero);
decphase(t10);
decpwrf(4095.0);
delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6);
decrgpulse(pwC,t10,4.0e-6,0.0);
decoffset(dof_me);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
lk_sample();
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
rgpulse(pw,zero,4.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua - gt4 - gstab -2.0e-6
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0);
/* shaped_pulse */
obspower(tpwrs);
shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0);
obspower(tpwr);
/* shaped_pulse */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(gstab);
delay(taua
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pwHs - WFG_STOP_DELAY - POWER_DELAY
- gt4 - gstab -2.0e-6 - 2.0*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2);
/* BEGIN ACQUISITION */
lk_sample();
status(C);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
int t1_counter, t2_counter; /* used for states tppi in t1 & t2*/
char IPAP[MAXSTR], Hstart[MAXSTR],
f1180[MAXSTR],H2dec[MAXSTR],
shCACB_90[MAXSTR],shCACB_90r[MAXSTR],
shCACB_180[MAXSTR], shCB_180[MAXSTR], decCB[MAXSTR],
shCACB_180off[MAXSTR],
shCBIP[MAXSTR],
shCO_90[MAXSTR],
shCO_180[MAXSTR],
shCO_180off[MAXSTR];
double
tau1, /* t1 delay */
x,
TCH = getval("TCH"),
TC = getval("TC"), /* delay 1/(2JCACB) ~ 7.0ms in Ref. */
del = getval("del"), /* delay del = 1/(2JC'C) ~ 9.0ms in Ref. */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwClvlF=getval("pwClvlF"), /* maximum fine power when using pwC pulses */
pwHlvl = getval("pwHlvl"),
pwH = getval("pwH"),
pwCBIP = getval("pwCBIP"),
/* 90 degree pulse at CO (174ppm) */
pwCO_90 = getval("pwCO_90"), /* 90 degree pulse length on C13 */
pwCO_90phase_roll = getval("pwCO_90phase_roll") , /* fraction of CACB pulse to compensate for phase roll */
pwrCO_90 = getval("pwrCO_90"), /*power */
pwrfCO_90 = getval("pwrfCO_90"),
/* 180 degree pulse at CO (174ppm) */
pwCO_180 = getval("pwCO_180"), /* 180 degree pulse length on C13 */
pwrCO_180 = getval("pwrCO_180"), /*power */
pwrfCO_180 = getval("pwrfCO_180"),
/* 90 degree pulse at CAB (57.7ppm) */
tofCACB = getval("tofCACB"),
pwCACB_90 = getval("pwCACB_90"),
pwCACB_90phase_roll = getval("pwCACB_90phase_roll") , /* fraction of CACB pulse to compensate for phase roll */
/* 90 degree pulse length on C13 */
pwrCACB_90 = getval("pwrCACB_90"), /*power */
pwrfCACB_90 = getval("pwrfCACB_90"),
/* 180 degree pulse at CA (57.7ppm) */
pwCACB_180 = getval("pwCACB_180"), /* 180 degree pulse length on C13 */
pwrCACB_180 = getval("pwrCACB_180"), /*power */
pwrfCACB_180 = getval("pwrfCACB_180"),
pwCB_180 = getval("pwCB_180"), /* 180 degree pulse length on C13 */
pwrCB_180 = getval("pwrCB_180"),
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"),
gzlvl3 = getval("gzlvl3"),
gstab = getval("gstab");
getstr("IPAP",IPAP);
getstr("H2dec",H2dec);
getstr("shCBIP",shCBIP);
getstr("f1180",f1180);
getstr("shCACB_90",shCACB_90); getstr("shCACB_90r",shCACB_90r);
getstr("shCACB_180",shCACB_180); getstr("shCACB_180off",shCACB_180off);
getstr("shCB_180",shCB_180); getstr("decCB",decCB);
getstr("shCO_90",shCO_90);
getstr("shCO_180",shCO_180); getstr("shCO_180off",shCO_180off);
getstr("Hstart",Hstart);
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t2,4,phi2);
settable(t3,4,phi3);
settable(t4,4,phi4);
settable(t5,4,phi5);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
if( (IPAP[A] != 'i') && (IPAP[A] != 'a')&& (IPAP[A] != 't'))
{ text_error("IPAP flag either i or a, exiting "); psg_abort(1); }
if( (Hstart[A]=='y') && ((dmm[A]!='c' || dm[A]=='y')) )
{
text_error("Incorrect combination of dm, dmm and Hstart. ");
psg_abort(1);};
x=0.0;
if(decCB[A]=='y'){x=1.0;}
if(ni/sw1 > TC-2.0*pwCB_180*x) {
text_error("too many increments in CAB t1 evolution %d\n",(int)( (TC-2.0*pwCB_180*x)*sw1 +0.5));
psg_abort(1);};
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t1,1,4);
tau1 = d2;
if(f1180[A]=='y') {tau1+=0.5/sw1;}
tau1 = tau1/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if(IPAP[A]=='a'){tsadd(t4,1,4);};
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(10.0e-6);
obspower(pwClvl);
obspwrf(4095.0);
dec2power(dpwr2); dec2pwrf(4095.0);
obsoffset(tofCACB);
delay(d1);
/* option to start from H magnetization */
if(Hstart[A]=='y')
{
decpower(pwHlvl); decpwrf(4095.0);
decrgpulse(pwH, zero, 0.0, 0.0);
delay(TCH);
simpulse(2.0*pwC,2.0*pwH, zero,zero, 0.0, 0.0);
delay(TCH);
decrgpulse(pwH, one, 0.0, 0.0);
zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(pwC, two, 0.0, 0.0);
delay(TCH);
simpulse(2.0*pwC,2.0*pwH, zero,zero, 0.0, 0.0);
delay(TCH);
rgpulse(pwC, one, 0.0, 0.0);
zgradpulse(gzlvl3,gt3);
delay(gstab*2.0);
decpower(dpwr); decpwrf(4095.0);
}
if (H2dec[A] == 'y') lk_hold();
status(B);
/* CACO experiment */
/************optional deuterium decoupling**************************/
if(H2dec[A] == 'y'){ dec3unblank();
if(1.0/dmf3>900.0e-6) {
dec3power(dpwr3+6.0);
dec3rgpulse(0.5/dmf3, one, 1.0e-6, 0.0e-6);
dec3power(dpwr3);
}
else dec3rgpulse(1.0/dmf3, one, 1.0e-6,0.0e-6);
dec3phase(zero); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
/**************************************/
/* begin CA evolution and transfer to CO */
obspwrf(pwrfCACB_90); obspower(pwrCACB_90);
shapedpulse(shCACB_90,pwCACB_90,t1,0.0,0.0);
obspwrf(4095.0); obspower(pwClvl);
delay(10.0e-6);
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
delay(10.0e-6);
if(decCB[A]=='y') {
delay( (TC/2.0-tau1 + 2.0*pwCACB_90phase_roll*pwCACB_90)*0.5 -pwCB_180*0.5);
obspower(pwrCB_180);
shapedpulse(shCB_180,pwCB_180,zero,0.0,0.0);
delay( (TC/2.0-tau1 + 2.0*pwCACB_90phase_roll*pwCACB_90)*0.5 -pwCB_180*0.5);
}
else delay(TC/2.0-tau1 + 2.0*pwCACB_90phase_roll*pwCACB_90);
obspower(pwClvl);
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
if(decCB[A]=='y') {
delay((TC/2.0+tau1)*0.5 -pwCB_180*0.5);
obspower(pwrCB_180);
shapedpulse(shCB_180,pwCB_180,zero,0.0,0.0);
delay((TC/2.0+tau1)*0.5 -pwCB_180*0.5);
}
else delay(TC/2.0+tau1);
obspower(pwrCACB_90);
shapedpulse(shCACB_90r,pwCACB_90,one,0.0,0.0);
/*************************************************************/
if(H2dec[A] == 'y') {
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
if(1.0/dmf3>900.0e-6) {
dec3power(dpwr3+6.0);
dec3rgpulse(0.5/dmf3, three, 1.0e-6, 0.0e-6);
dec3power(dpwr3);
}
else dec3rgpulse(1.0/dmf3, three, 1.0e-6, 0.0e-6); dec3blank();
}
/*************************************************************/
/* CAzCOz */
delay(10e-6);
obsoffset(tof);
delay(10e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab);
status(C);
/* CAzCOz -> CO or CACO */
obspwrf(pwrfCO_90); obspower(pwrCO_90);
shapedpulse(shCO_90,pwCO_90,t4,0.0,0.0);
/* ghost 180 on CA*/
if(IPAP[A]=='i') {
obspwrf(pwClvlF); obspower(pwClvl);
delay(10.0e-6);
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
delay(10.0e-6);
delay(del/2.0 + pwCO_90phase_roll*pwCO_90);
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
obspwrf(pwClvlF); obspower(pwClvl);
delay(10.0e-6);
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
delay(10.0e-6);
delay(del/2.0 );
}
/***>>>>>>>>>>>**TEST*********/
if(IPAP[A]=='t') {
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
delay(10.0e-6);
obspwrf(pwrfCO_180); obspower(pwrCO_180);
delay(del/2.0);
shapedpulse(shCO_180,pwCO_180,zero,0.0,0.0);
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
delay(10.0e-6);
obspwrf(pwrfCO_90); obspower(pwrCO_90);
delay(del/2.0);
}
/********<<<<<<<<<<<<<**TEST*********/
if(IPAP[A]=='a') {
obspwrf(pwClvlF); obspower(pwClvl);
delay(10.0e-6);
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
delay(10.0e-6);
delay(del/4.0 + pwCO_90phase_roll*pwCO_90);
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
obspwrf(pwClvlF); obspower(pwClvl);
delay(10.0e-6);
delay(del/4.0 );
shapedpulse(shCBIP,pwCBIP,zero,0.0,0.0);
delay(del/4.0);
obspwrf(pwrfCACB_180); obspower(pwrCACB_180);
delay(10.0e-6);
shapedpulse(shCACB_180off,pwCACB_180,zero,0.0,0.0);
delay(10.0e-6);
delay(del/4.0 );
}
if (H2dec[A]=='y') lk_sample();
status(D);
setreceiver(t12);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
ddseq[MAXSTR], /* deuterium decoupling sequence */
shp_sl[MAXSTR],
shcreb[MAXSTR], /* reburp shape for center of t1 period */
shcgcob[MAXSTR], /* g3 inversion at 154 ppm (350 us) */
shcgcoib[MAXSTR], /* g3 time inversion at 154 ppm (350 us) */
shca180[MAXSTR], /* Ca 180 [D/sq(3)] during 15N CT */
shco180[MAXSTR], /* Co 180 [D/sq(15)] during 15N CT */
sel_flg[MAXSTR], /* active/passive purging of undesired
component */
fCT[MAXSTR], /* Flag for constant time C13 evolution */
fc180[MAXSTR],
cal_sphase[MAXSTR],
shared_CT[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni2, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
del1, /* time for C'-N to refocus set to 0.5*24.0 ms */
bigTN, /* nitrogen T period */
bigTC, /* carbon T period */
zeta, /* delay for transfer from ca to cb = 3.5 ms */
tsatpwr, /* low level 1H trans.power for presat */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tauf, /* 1/2J NH value */
pw_sl, /* selective pulse on water */
phase_sl, /* phase on water */
tpwrsl, /* power for pw_sl */
at,
d_cgcob, /* power level for g3 pulses at 154 ppm */
d_creb, /* power level for reburp 180 at center of t1 */
pwcgcob, /* g3 ~ 35o us 180 pulse */
pwcreb, /* reburp ~ 400us 180 pulse */
pwD, /* 2H 90 pulse, about 125 us */
pwDlvl, /* 2H 90 pulse, about 125 us */
pwca180, /* Ca 180 during N CT at d_ca180 */
pwco180, /* Co 180 during N CT at d_co180 */
d_ca180,
d_co180,
compC = getval("compC"), /* C-13 RF calibration parameters */
pwC = getval("pwC"),
pwClvl = getval("pwClvl"),
pwN,
pwNlvl,
sphase,
pw_sl1,
tpwrsl1,
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt11,
gt13,
gt14,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl11,
gzlvl13,
gzlvl14;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("fCT",fCT);
getstr("fc180",fc180);
getstr("cal_sphase",cal_sphase);
getstr("shared_CT",shared_CT);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
del1 = getval("del1");
bigTN = getval("bigTN");
bigTC = getval("bigTC");
zeta = getval("zeta");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
tauf = getval("tauf");
pw_sl = getval("pw_sl");
phase_sl = getval("phase_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
pw_sl1 = getval("pw_sl1");
tpwrsl1 = getval("tpwrsl1");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt11 = getval("gt11");
gt13 = getval("gt13");
gt14 = getval("gt14");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl11 = getval("gzlvl11");
gzlvl13 = getval("gzlvl13");
gzlvl14 = getval("gzlvl14");
if(autocal[0]=='n')
{
getstr("shcgcob",shcgcob);
getstr("shcgcoib",shcgcoib);
getstr("shcreb",shcreb);
getstr("shca180",shca180);
getstr("shco180",shco180);
d_ca180 = getval("d_ca180");
d_co180 = getval("d_co180");
d_cgcob = getval("d_cgcob");
d_creb = getval("d_creb");
pwca180 = getval("pwca180");
pwco180 = getval("pwco180");
pwcgcob = getval("pwcgcob");
pwcreb = getval("pwcreb");
}
else
{
strcpy(shcgcob,"Pg3_107p");
strcpy(shcgcoib,"Pg3i_107p");
strcpy(shcreb,"Preb_on");
strcpy(shca180,"Phard_15p");
strcpy(shco180,"Phard_133p");
if (FIRST_FID)
{
cgcob = pbox(shcgcob, G3CGCOB, CAB180ps, dfrq, compC*pwC, pwClvl);
cgcoib = pbox(shcgcoib, G3CGCOBi, CAB180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(shcreb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(shca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
co180 = pbox(shco180, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_ca180 = ca180.pwr;
d_co180 = co180.pwr;
d_cgcob = cgcob.pwr;
d_creb = creb.pwr;
pwca180 = ca180.pw;
pwco180 = co180.pw;
pwcgcob = cgcob.pw;
pwcreb = creb.pw;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,1,phi4);
settable(t5,16,phi5);
settable(t6,8,phi6);
settable(t7,1,phi7);
settable(t8,16,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(shared_CT[A] == 'n')
if(bigTN - 0.5*(ni2 -1)/sw2 - POWER_DELAY < 0.2e-6)
{
text_error(" ni2 is too big\n");
text_error(" please set ni2 smaller or equal to %d\n",
(int) ((bigTN -POWER_DELAY)*sw2*2.0) +1 );
psg_abort(1);
}
if(fCT[A] == 'y')
if(bigTC - 0.5*(ni-1)/sw1 - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 < 0.2e-6) {
text_error("ni is too big\n");
text_error(" please set ni smaller or equal to %d\n",
(int) ((bigTC - WFG_STOP_DELAY - gt14 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwcgcob - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6)*sw1*2.0) +1 );
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{
text_error("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
text_error("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
text_error("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
text_error("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 47 )
{
text_error("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 63 )
{
text_error("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pwNlvl > 63 )
{
text_error("don't fry the probe, pwNlvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
text_error("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
text_error("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
text_error("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( f1180[A] != 'n' && f2180[A] != 'n' ) {
text_error("flags may be set wrong: set f1180=n and f2180=n for 3d\n");
psg_abort(1);
}
if(d_ca180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if(d_co180 > 58)
{
text_error("dont fry the probe, d_ca180 too high ! ");
psg_abort(1);
}
if( gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3
|| gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3
|| gt11 > 15e-3 || gt13 > 15e-3
|| gt14 > 15e-3)
{
text_error("gti values must be < 15e-3\n");
psg_abort(1);
}
if(tpwrsl > 25) {
text_error("tpwrsl must be less than 25\n");
psg_abort(1);
}
if(tpwrsl1 > 25) {
text_error("tpwrsl1 must be less than 25\n");
psg_abort(1);
}
if( dpwr3 > 50) {
text_error("dpwr3 too high\n");
psg_abort(1);
}
if( del1 > 0.1 ) {
text_error("too long del1\n");
psg_abort(1);
}
if( zeta > 0.1 ) {
text_error("too long zeta\n");
psg_abort(1);
}
if( bigTN > 0.1) {
text_error("too long bigTN\n");
psg_abort(1);
}
if( bigTC > 0.1) {
text_error("too long bigTC\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
text_error("too long pw_sl\n");
psg_abort(1);
}
if( pw_sl1 > 10e-3) {
text_error("too long pw_sl1\n");
psg_abort(1);
}
if( at > 0.1 && dm2[D] == 'y') {
text_error("too long at with dec2\n");
psg_abort(1);
}
if(pwDlvl > 59) {
text_error("pwDlvl is too high; <= 59\n");
psg_abort(1);
}
if(d_creb > 62) {
text_error("d_creb is too high; <= 62\n");
psg_abort(1);
}
if(d_cgcob > 60) {
text_error("d_cgcob is too high; <=60\n");
psg_abort(1);
}
if(cal_sphase[A] == 'y') {
text_error("Use only to calibrate sphase\n");
text_error("Set zeta to 600 us, gt11=gt13=0, fCT=y, fc180=n\n");
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
text_error("Both nietl_flg and sel_flg cannot by y\n");
psg_abort(1);
}
if (fCT[A] == 'n' && fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow Calfa/Cbeta evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
/* changed from 1 to 3; spect. rev. not needed */
if (phase == 2) { tsadd(t2,3,4); tsadd(t3,3,4); }
if (shared_CT[A] == 'n')
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = 1; }
else icosel = -1;
}
else
{
if (phase2 == 2) { tsadd(t7,2,4); icosel = -1; }
else icosel = 1;
}
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t8,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t5,2,4);
tsadd(t8,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y' && fCT[A] == 'y')
tau1 += ( 1.0 / (2.0*sw1) );
if(f1180[A] == 'y' && fCT[A] == 'n')
tau1 += (1.0 / (2.0*sw1) - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(f1180[A] == 'n' && fCT[A] == 'n')
tau1 = (tau1 - 4.0/PI*pwC - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 4.0e-7;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec3power(pwDlvl); /* Set Dec3 for 2H hard pulses */
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,0.0,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if (fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
dec2phase(t1); decphase(zero);
delay(taua - gt5 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'y')
{
rgpulse(pw,one,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,two,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY);
rgpulse(pw,zero,0.0,0.0);
rgpulse(2.0*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(zero);
delay(del1 - 1.34e-3 - 4.0*pw - 4.0e-6
- POWER_DELAY + WFG_START_DELAY + pwca180 + WFG_STOP_DELAY);
}
else
{
rgpulse(pw,three,4.0e-6,0.0);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,2.0e-6,0.0);
xmtrphase(zero);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,t1,0.0,0.0);
dec2phase(zero);
decpower(d_ca180);
delay(del1 - POWER_DELAY + WFG_START_DELAY
+ pwca180 + WFG_STOP_DELAY);
}
decphase(zero);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(one);
delay(del1);
dec2rgpulse(pwN,one,0.0,0.0);
decpower(pwClvl);
decphase(t2);
delay(0.2e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
dec2phase(t5);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
decrgpulse(pwC,t2,0.0,0.0);
delay(zeta
- PRG_STOP_DELAY - DELAY_BLANK - POWER_DELAY - 4.0e-6
- pwD
- gt11 - 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt11 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - PRG_START_DELAY
- DELAY_BLANK - POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,t3,4.0e-6,0.0);
if (fCT[A] == 'y')
{
delay(tau1);
decpower(d_cgcob);
decshaped_pulse(shcgcob,pwcgcob,zero,4.0e-6,0.0);
delay(bigTC - POWER_DELAY - WFG_START_DELAY - 4.0e-6
- pwcgcob - WFG_STOP_DELAY
- 102.0e-6 - gt14
- PRG_STOP_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl14,gt14);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(bigTC - tau1 - WFG_STOP_DELAY - gt14
- 102.0e-6 - POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY
- 4.0e-6 - pwcgcob - WFG_STOP_DELAY - POWER_DELAY
- 4.0e-6);
decpower(d_cgcob);
decshaped_pulse(shcgcoib,pwcgcob,zero,4.0e-6,0.0);
decphase(t4);
}
else if(fCT[A] == 'n' && fc180[A] == 'n')
{
delay(tau1);
delay(tau1);
}
else if(fCT[A] == 'n' && fc180[A] == 'y')
{
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,0.0);
dcplrphase(zero);
}
decpower(pwClvl);
decrgpulse(pwC,t4,4.0e-6,0.0);
delay(zeta - POWER_DELAY - 4.0e-6
- pwD - PRG_STOP_DELAY - DELAY_BLANK
- gt13
- 102.0e-6 - POWER_DELAY - WFG_START_DELAY);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
if (cal_sphase[A] == 'y')
{
decpower(pwClvl);
decshaped_pulse("hard",2.0*pwC,zero,4.0e-6,4.0e-6);
}
else
{
initval(1.0,v5);
decstepsize(sphase);
dcplrphase(v5);
decpower(d_creb);
decshaped_pulse(shcreb,pwcreb,zero,4.0e-6,4.0e-6);
dcplrphase(zero);
}
delay(2.0e-6);
zgradpulse(gzlvl13,gt13);
delay(100.0e-6);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
delay(zeta - WFG_STOP_DELAY - gt13 - 102.0e-6
- POWER_DELAY - 4.0e-6 - pwD - POWER_DELAY
- PRG_START_DELAY - DELAY_BLANK
- POWER_DELAY - 4.0e-6);
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
delay(0.2e-6);
zgradpulse(gzlvl9,gt9);
delay(200.0e-6);
if (shared_CT[A] == 'n')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_ca180);
dec2phase(t6);
delay(bigTN - tau2 - POWER_DELAY);
dec2rgpulse(2*pwN,t6,0.0,0.0);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2phase(t7);
delay(bigTN - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY
- gt1 - 2.0*GRADIENT_DELAY - 500.2e-6
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwco180 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_co180);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(tau2);
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
else if (shared_CT[A] == 'y')
{
dec2rgpulse(pwN,t5,2.0e-6,0.0);
decpower(d_co180);
dec2phase(t6);
if (bigTN - tau2 >= 0.2e-6)
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
decpower(d_ca180);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180 - WFG_STOP_DELAY
- POWER_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
dec2rgpulse(2*pwN,t6,0.0,0.0);
delay(bigTN - tau2);
}
else
{
delay(tau2);
decshaped_pulse(shco180,pwco180,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decpower(d_ca180);
delay(bigTN - 4.0e-6 - WFG_START_DELAY - pwco180
- WFG_STOP_DELAY - gt1 - 500.2e-6 - 2.0*GRADIENT_DELAY
- POWER_DELAY - WFG_START_DELAY - pwca180 - WFG_STOP_DELAY);
decshaped_pulse(shca180,pwca180,zero,0.0,0.0);
delay(tau2 - bigTN);
dec2rgpulse(2.0*pwN,t6,0.0,0.0);
}
sim3pulse(pw,0.0,pwN,zero,zero,t7,0.0,0.0);
}
/* end of shared_CT */
if (nietl_flg[A] == 'n')
{
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf - POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{ /* nietl_flg == y */
/* shaped pulse */
obspower(tpwrsl1);
shaped_pulse(shp_sl,pw_sl1,zero,2.0e-6,0.0);
delay(2.0e-6);
obspower(tpwr);
/* shaped pulse */
decpower(pwClvl);
decrgpulse(pwC,zero,4.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(tauf
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY
- pw_sl1 - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY
- POWER_DELAY - 4.0e-6
- pwC - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(tauf - gt6 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
sim3pulse(pw,0.0,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(tauf - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(tauf - gt7 - 200.2e-6);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
} /* end of nietl_flg == y */
delay(gt2 +gstab -0.5*(pwN-pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2,gt2);
decpower(dpwr); /* NO 13C decoupling */
dec2power(dpwr2); /* NO 15N decoupling */
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
/* BEGIN ACQUISITION */
status(C);
setreceiver(t8);
}
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 VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* deuterium decoupling sequence */
spcosed[MAXSTR], /* waveform Co seduce 180 */
spcareb[MAXSTR], /* waveform Ca reburp 180 */
spca180[MAXSTR], /* waveform Ca hard 180 */
sel_flg[MAXSTR],
shp_sl[MAXSTR],
cacb_dec[MAXSTR],
cacbdecseq[MAXSTR],
nietl_flg[MAXSTR];
int phase, phase2, ni, icosel,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JNCa = ~13 ms */
taud, /* ~ 1/4JCaC' = 3~4.5 ms ms */
bigTN, /* nitrogen T period */
pwc90, /* PW90 for ca nucleus @ d_c90 */
pwca180, /* PW180 for ca nucleus @ d_c180 */
pwca180dec, /* pwca180+pad */
pwcareb, /* pw180 at d_creb ~ 1.6 ms at 600 MHz */
pwcosed, /* PW180 at d_csed ~ 200us at 600 MHz */
tsatpwr, /* low level 1H trans.power for presat */
d_c90, /* power level for 13C pulses(pwc90=sqrt(15)/4delta
delta is the separation between Ca and Co */
d_c180, /* power level for pwca180(sqrt(3)/2delta) */
d_creb, /* power level for pwcareb */
d_csed, /* power level for pwcosed */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
pw_sl, /* selective pulse on water */
tpwrsl, /* power for pw_sl */
at,
sphase, /* small angle phase shift */
sphase1,
phase_sl,
d_cacbdec,
pwcacbdec,
dres_dec,
pwD, /* PW90 for higher power (pwDlvl) deut 90 */
pwDlvl, /* high power for deut 90 hard pulse */
compC, /* C-13 RF calibration parameters */
pwC,
pwClvl,
pwN, /* PW90 for 15N pulse */
pwNlvl, /* high dec2 pwr for 15N hard pulses */
gstab,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10;
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("shp_sl",shp_sl);
getstr("sel_flg",sel_flg);
getstr("cacb_dec",cacb_dec);
getstr("nietl_flg",nietl_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
bigTN = getval("bigTN");
pwN = getval("pwN");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
dpwr = getval("dpwr");
pwNlvl = getval("pwNlvl");
pwD = getval("pwD");
pwDlvl = getval("pwDlvl");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni = getval("ni");
pw_sl = getval("pw_sl");
tpwrsl = getval("tpwrsl");
at = getval("at");
sphase = getval("sphase");
sphase1 = getval("sphase1");
phase_sl = getval("phase_sl");
gstab = getval("gstab");
gt1 = getval("gt1");
if (getval("gt2") > 0) gt2=getval("gt2");
else gt2=gt1*0.1;
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
if(autocal[0]=='n')
{
getstr("spcosed",spcosed);
getstr("spcareb",spcareb);
getstr("spca180",spca180);
getstr("cacbdecseq",cacbdecseq);
d_c90 = getval("d_c90");
d_c180 = getval("d_c180");
d_creb = getval("d_creb");
d_csed = getval("d_csed");
pwc90 = getval("pwc90");
pwca180 = getval("pwca180");
pwca180dec = getval("pwca180dec");
pwcareb = getval("pwcareb");
pwcosed = getval("pwcosed");
d_cacbdec = getval("d_cacbdec");
pwcacbdec = getval("pwcacbdec");
dres_dec = getval("dres_dec");
}
else
{
strcpy(spcosed,"Phard_118p");
strcpy(spcareb,"Preburp_-15p");
strcpy(spca180,"Phard_-118p");
strcpy(cacbdecseq,"Pcb_dec");
if (FIRST_FID)
{
compC = getval("compC");
pwC = getval("pwC");
pwClvl = getval("pwClvl");
co180 = pbox(spcosed, CO180, CA180ps, dfrq, compC*pwC, pwClvl);
creb = pbox(spcareb, CREB180, CAB180ps, dfrq, compC*pwC, pwClvl);
ca180 = pbox(spca180, CA180, CA180ps, dfrq, compC*pwC, pwClvl);
cbdec = pbox(cacbdecseq, CBDEC,CBDECps, dfrq, compC*pwC, pwClvl);
c90 = pbox("Phard90", C90, CA180ps, dfrq, compC*pwC, pwClvl);
}
d_c90 = c90.pwr;
d_c180 = ca180.pwr;
d_creb = creb.pwr;
d_csed = co180.pwr;
pwc90 = c90.pw;
pwca180 = ca180.pw;
pwca180dec = ca180.pw;
pwcareb = creb.pw;
pwcosed = co180.pw;
d_cacbdec = cbdec.pwr;
pwcacbdec = 1.0/cbdec.dmf;
dres_dec = cbdec.dres;
}
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t2,4,phi2);
settable(t3,8,phi3);
settable(t4,2,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if(ix==1)
printf("Uses shared AT in the N dimension. Choose ni2 as desired\n");
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > -16 )
{
printf("DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > -16 )
{
printf("DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3
|| gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3
|| gt7 > 3e-3 || gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3)
{
printf("gti values must be < 3e-3\n");
psg_abort(1);
}
if(tpwrsl > 30) {
printf("tpwrsl must be less than 25\n");
psg_abort(1);
}
if( pwDlvl > 59) {
printf("pwDlvl too high\n");
psg_abort(1);
}
if( dpwr3 > 50) {
printf("dpwr3 too high\n");
psg_abort(1);
}
if( pw_sl > 10e-3) {
printf("too long pw_sl\n");
psg_abort(1);
}
if(d_cacbdec > 40) {
printf("d_cacbdec is too high; < 41\n");
psg_abort(1);
}
if(nietl_flg[A] == 'y' && sel_flg[A] == 'y') {
printf("nietl_flg and sel_flg cannot both be y\n");
psg_abort(1);
}
if (fc180[A] =='y' && ni > 1.0) {
text_error("must set fc180='n' to allow C' evolution (ni>1)\n");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2) tsadd(t2,1,4);
if (phase2 == 2) {
tsadd(t5,2,4);
icosel = 1;
}
else icosel = -1;
if (nietl_flg[A] == 'y') icosel = -1*icosel;
/* Set up f1180 tau2 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1)
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
}
if(f1180[A] == 'n')
tau1 = ( tau1
- 4.0/PI*pwc90 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY
- pwca180dec - WFG_STOP_DELAY - 2.0*pwN - POWER_DELAY
- 4.0e-6);
if(tau1 < 0.2e-6) tau1 = 0.2e-6;
tau1 = tau1/2.0;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) );
if(tau2 < 0.2e-6) tau2 = 0.2e-6;
}
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t3,2,4);
tsadd(t6,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(d_c180); /* Set Dec1 power to high power */
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
decoffset(dof);
/* Presaturation Period */
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
delay(20.0e-6);
initval(1.0,v2);
obsstepsize(phase_sl);
xmtrphase(v2);
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,one,4.0e-6,0.0);
xmtrphase(zero);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(2.0e-6);
delay(taua - gt5 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three);
dec2phase(zero);
decphase(zero);
delay(taua - gt5 - 200.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl5,gt5);
delay(200.0e-6);
if (sel_flg[A] == 'n')
{
rgpulse(pw,three,2.0e-6,0.0);
decpower(d_c180);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
delay(tauc);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
else
{
rgpulse(pw,one,2.0e-6,0.0);
decpower(d_c180);
initval(1.0,v5);
dec2stepsize(45.0);
dcplr2phase(v5);
delay(0.2e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay(tauc - 1.34e-3 - 2.0*pw);
dec2rgpulse(2*pwN,zero,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(one);
delay(tauc - pwca180);
dec2rgpulse(pwN,one,0.0,0.0);
}
/* END sel_flg */
decphase(t1);
decpower(d_c90);
delay(0.2e-6);
zgradpulse(gzlvl8,gt8);
delay(200.0e-6);
/* Cay to CaxC'z */
dec2phase(zero);
txphase(zero);
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
delay(taud -POWER_DELAY -4.0e-6 -WFG_START_DELAY);
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
else
{
decrgpulse(pwc90,t1,2.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
initval(1.0,v3);
decstepsize(sphase);
dcplrphase(v3);
decpower(d_creb);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,2.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decoffset(dof+(174-56)*dfrq); /* change Dec1 carrier to Co */
delay(2.0e-7);
zgradpulse(gzlvl4,gt4);
delay(100.0e-6);
/* t1 period for C' chemical shift evolution; Ca 180 and N 180 are used
to decouple */
decrgpulse(pwc90,t2,2.0e-6,0.0);
if (fc180[A]=='n')
{
decpower(d_c180);
delay(tau1);
decshaped_pulse(spca180,pwca180dec,zero,4.0e-6,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
delay(tau1);
decpower(d_c90);
}
else
decrgpulse(2*pwc90,zero,0.0,0.0);
decrgpulse(pwc90,zero,4.0e-6,0.0);
decoffset(dof); /* set carrier to Ca */
delay(2.0e-7);
zgradpulse(gzlvl9,gt9);
delay(100.0e-6);
/* Refocusing CayC'z to Cax */
/* Turn on D decoupling using the third decoupler */
dec3phase(one);
dec3power(pwDlvl);
dec3rgpulse(pwD,one,4.0e-6,0.0);
dec3phase(zero);
dec3power(dpwr3);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
if (cacb_dec[A] == 'n')
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
delay(taud - POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
delay(taud - WFG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
else
{
decrgpulse(pwc90,zero,0.0e-6,0.0);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6 - WFG_START_DELAY - pwcosed - WFG_STOP_DELAY
- POWER_DELAY - 4.0e-6 - WFG_START_DELAY);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_csed);
decshaped_pulse(spcosed,pwcosed,zero,4.0e-6,0.0);
decpower(d_creb);
initval(1.0,v4);
decstepsize(sphase1);
dcplrphase(v4);
decshaped_pulse(spcareb,pwcareb,zero,4.0e-6,0.0);
dcplrphase(zero);
/* CaCb dec on */
decpower(d_cacbdec);
decprgon(cacbdecseq,pwcacbdec,dres_dec);
decon();
/* CaCb dec on */
delay(taud - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY
- PRG_STOP_DELAY
- POWER_DELAY
- 4.0e-6);
/* CaCb dec off */
decoff();
decprgoff();
/* CaCb dec off */
decpower(d_c90);
decrgpulse(pwc90,one,4.0e-6,0.0);
}
/* END cacb_dec */
/* Turn off D decoupling */
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3blank();
dec3phase(three);
dec3power(pwDlvl);
dec3rgpulse(pwD,three,4.0e-6,0.0);
/* Turn off D decoupling */
decpower(d_c180);
txphase(zero);
delay(2.0e-7);
zgradpulse(gzlvl10,gt10);
delay(100.0e-6);
/* Constant t2 period */
if (bigTN - tau2 >= 0.2e-6)
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2phase(t4);
delay(bigTN - tau2 + pwca180);
dec2rgpulse(2*pwN,t4,0.0,0.0);
decrgpulse(pwca180,zero,0.0,0.0);
dec2phase(t5);
decpower(d_csed);
delay(bigTN - gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
else
{
dec2rgpulse(pwN,t3,2.0e-6,0.0);
dec2rgpulse(2.0*pwN,t4,2.0e-6,2.0e-6);
dec2phase(t5);
delay(tau2 - bigTN);
decrgpulse(pwca180,zero,0.0,0.0);
decpower(d_csed);
delay(bigTN - pwca180 - POWER_DELAY
- gt1 - 502.0e-6 - 2.0*GRADIENT_DELAY
- WFG_START_DELAY - pwcosed - WFG_STOP_DELAY);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(500.0e-6);
decshaped_pulse(spcosed,pwcosed,zero,0.0,0.0);
delay(tau2);
sim3pulse(pw,0.0e-6,pwN,zero,zero,t5,0.0,0.0);
}
if (nietl_flg[A] == 'n')
{
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
txphase(one);
dec2phase(one);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,zero,zero,zero,0.0,0.0);
}
else
{
/* shaped pulse */
obspower(tpwrsl);
shaped_pulse(shp_sl,pw_sl,zero,4.0e-6,0.0);
obspower(tpwr);
txphase(zero);
delay(4.0e-6);
/* shaped pulse */
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pw_sl
- WFG_STOP_DELAY - POWER_DELAY - 4.0e-6
- gt6 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(zero);
delay(0.2e-6);
zgradpulse(gzlvl6,gt6);
delay(200.0e-6);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0e-6,2*pwN,zero,zero,zero,0.0,0.0);
txphase(one);
dec2phase(one);
delay(0.2e-6);
zgradpulse(gzlvl7,gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0e-6,pwN,one,zero,one,0.0,0.0);
txphase(zero);
}
delay(gt2 +gstab -0.5*(pwN -pw) -2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(icosel*gzlvl2, gt2);
decpower(dpwr);
dec2power(dpwr2);
delay(gstab -2.0e-6 -2.0*GRADIENT_DELAY -2.0*POWER_DELAY);
lk_sample();
status(C);
setreceiver(t6);
}
