pulsesequence()
{
double slpwrR = getval("slpwrR"),
slpwR = getval("slpwR"),
mixR = getval("mixR"),
gzlvlz = getval("gzlvlz"),
gtz = getval("gtz"),
zfphinc = getval("zfphinc");
char slpatR[MAXSTR];
int phase1 = (int)(getval("phase")+0.5);
/* LOAD AND INITIALIZE PARAMETERS */
getstr("slpatR",slpatR);
if (strcmp(slpatR,"cw") &&
strcmp(slpatR,"troesy") &&
strcmp(slpatR,"dante"))
abort_message("SpinLock pattern %s not supported!.\n", slpatR);
sub(ct,ssctr,v7);
settable(t1,4,ph1); getelem(t1,v7,v1);
settable(t2,8,ph2); getelem(t2,v7,v2);
settable(t3,8,ph3);
settable(t8,4,ph8); getelem(t8,v7,v8);
settable(t6,8,ph6); getelem(t6,v7,v6);
assign(v1,oph);
if (getflag("zfilt"))
getelem(t3,v7,oph);
add(v2,one,v3);
add(v2,two,v4);
add(v2,three,v5);
if (phase1 == 2)
{incr(v1); incr(v6);} /* hypercomplex method */
/*
mod2(id2,v13);
dbl(v13,v13);
*/
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v13);
add(v1,v13,v1);
add(v6,v13,v6);
add(oph,v13,oph);
/* The following is for flipback pulse */
zfphinc=zfphinc+180;
if (zfphinc < 0) zfphinc=zfphinc+360;
initval(zfphinc,v10);
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,v6,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
decpower(dpwr);
status(B);
rgpulse(pw, v1, rof1, rof1);
if (d2 > 0.0)
delay(d2 - POWER_DELAY - (2*pw/PI) - rof1);
else
delay(d2);
obspower(slpwrR);
if (mixR > 0.0)
{
if (dps_flag)
{
if (!strcmp(slpatR,"troesy"))
rgpulse(mixR,v2,0.0,0.0);
else
rgpulse(mixR,v3,0.0,0.0);
}
else
SpinLock(slpatR,mixR,slpwR,v2,v3,v4,v5, v9);
}
if ((getflag("zfilt")) && (getflag("PFGflg")))
{
obspower(tpwr);
rgpulse(pw,v2,1.0e-6,rof1);
zgradpulse(gzlvlz,gtz);
delay(gtz/3);
if (getflag("flipback"))
FBpulse(v8,v10);
rgpulse(pw,v8,rof1,rof2);
}
else
delay(rof2);
status(C);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mess_flg[MAXSTR], /* water purging */
ar180a[MAXSTR], /* waveform shape for aromatic 180 pulse
with C transmitter at dof */
cb180b[MAXSTR], /* waveform shape for aliphatic 180 pulse
with C transmitter at dofar */
ar180b[MAXSTR]; /* waveform shape for aromatic 180 pulse
with C transmitter at dofar */
int phase, ni,
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
taua, /* ~ 1/4JCbHb = 1.7 ms */
taub, /* ~ 1/4JCgCd = 2.7 ms */
tauc, /* ~ 1/4JCgCd = 2.1 ms */
taud, /* ~ 1/4JCdHd = 1.5 ms */
taue, /* = 1/4JCbHb = 1.8 ms */
tauf, /* 2(tauc-tauf) ~ 1/2JCdHd = 3.1 ms */
TCb, /* carbon constant time period
for recording the Cb chemical shifts */
dly_pg1, /* delay for water purging */
pwar180a, /* 180 aro pulse at d_ar180a and dof */
pwcb180b, /* 180 cb pulse at d_cb180b and dofar */
pwC, /* 90 c pulse at pwClvl */
pwsel90, /* 90 c pulse at d_sel90 */
pwar180b, /* 180 c pulse at d_ar180b */
compC, /* C-13 RF calibration parameters */
compH,
d_ar180a,
d_cb180b,
d_sel90,
d_ar180b,
dofar,
tsatpwr, /* low level 1H trans.power for presat */
tpwrmess, /* power level for water purging */
tpwrml, /* power level for 1H decoupling */
pwmlev, /* 90 pulse at tpwrml */
pwClvl, /* power level for high power 13C pulses on dec1 */
sw1, /* sweep width in f1 */
at,
gp11, /* gap between 90-90 for selective 180 of Cb */
fab, /* chemical shift difference of Ca-Cb (Hz) */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("fscuba",fscuba);
getstr("mess_flg",mess_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
taue = getval("taue");
tauf = getval("tauf");
TCb = getval("TCb");
pwC = getval("pwC");
dofar = getval("dofar");
dly_pg1 = getval("dly_pg1");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
tpwrmess = getval("tpwrmess");
tpwrml = getval("tpwrml");
pwClvl = getval("pwClvl");
dpwr = getval("dpwr");
phase = (int) ( getval("phase") + 0.5);
sw1 = getval("sw1");
ni = getval("ni");
at = getval("at");
fab = getval("fab");
if(autocal[0]=='n')
{
getstr("ar180a",ar180a);
getstr("ar180b",ar180b);
getstr("cb180b",cb180b);
pwar180a = getval("pwar180a");
pwar180b = getval("pwar180b");
pwcb180b = getval("pwcb180b");
pwsel90 = getval("pwsel90");
d_ar180a = getval("d_ar180a");
d_cb180b = getval("d_cb180b");
d_ar180b = getval("d_ar180b");
d_sel90 = getval("d_sel90");
pwmlev = getval("pwmlev");
}
else
{
strcpy(ar180a,"Pg3_off_cb180a");
strcpy(ar180b,"Pg3_off_cb180b");
strcpy(cb180b,"Pg3_on");
if (FIRST_FID)
{
compC = getval("compC");
compH = getval("compH");
sel90 = pbox("cal", SEL90, "", dfrq, compC*pwC, pwClvl);
ar_180a = pbox(ar180a, AR180a, CB180ps, dfrq, compC*pwC, pwClvl);
ar_180b = pbox(ar180b, AR180b, CB180ps, dfrq, compC*pwC, pwClvl);
cb_180b = pbox(cb180b, CB180b, CB180ps, dfrq, compC*pwC, pwClvl);
w16 = pbox_dec("cal", "WALTZ16", tpwrml, sfrq, compH*pw, tpwr);
}
pwsel90 = sel90.pw; d_sel90 = sel90.pwr;
pwar180a = ar_180a.pw; d_ar180a = ar_180a.pwr;
pwar180b = ar_180b.pw; d_ar180b = ar_180b.pwr;
pwcb180b = cb_180b.pw; d_cb180b = cb_180b.pwr;
pwmlev = 1.0/w16.dmf;
}
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gstab = getval("gstab");
gt7 = getval("gt7");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,8,phi4);
settable(t5,1,phi5);
settable(t6,8,rec);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( 0.5*ni*1/(sw1) > TCb - 2*POWER_DELAY
- WFG_START_DELAY - pwar180a - WFG_STOP_DELAY)
{
printf(" ni is too big\n");
psg_abort(1);
}
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if(dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' )
{
printf("incorrect dec2 decoupler flags! ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( tpwrml > 53 )
{
printf("tpwrml too large !!! ");
psg_abort(1);
}
if( tpwrmess > 56 )
{
printf("tpwrmess too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 50 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 63 )
{
printf("don't fry the probe, DHPWR too large! ");
psg_abort(1);
}
if( pw > 20.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwcb180b > 500.0e-6 )
{
printf("dont fry the probe, pwcb180b too high ! ");
psg_abort(1);
}
if( pwar180a > 500.0e-6 )
{
printf("dont fry the probe, pwar180a too high ! ");
psg_abort(1);
}
if (pwar180b > 500.0e-6)
{
printf("dont fry the probe, pwar180b too long !");
psg_abort(1);
}
if (pwsel90 > 100.0e-6)
{
printf("dont fry the probe, pwsel90 too long !");
psg_abort(1);
}
if(d_ar180a > 60)
{
printf("dont fry the probe, d_ar180a too high !");
psg_abort(1);
}
if(d_cb180b > 60)
{
printf("dont fry the probe, d_cb180b too high !");
psg_abort(1);
}
if (d_ar180b > 60)
{
printf("dont fry the probe, d_ar180b too high ! ");
psg_abort(1);
}
if (d_sel90 > 50)
{
printf("dont fry the probe, d_sel90 too high ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3
|| gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3)
{
printf("gradients on for too long. Must be < 15e-3 \n");
psg_abort(1);
}
if( fabs(gzlvl0) > 30000 || fabs(gzlvl1) > 30000 || fabs(gzlvl2) > 30000
||fabs(gzlvl3) > 30000 || fabs(gzlvl4) > 30000 || fabs(gzlvl5) > 30000
||fabs(gzlvl6) > 30000 || fabs(gzlvl7) > 30000)
{
printf("too strong gradient");
psg_abort(1);
}
if( 2*TCb - taue > 0.1 )
{
printf("dont fry the probe, too long TCb");
psg_abort(1);
}
if( at > 0.1 && (dm[C]=='y' || dm2[C]=='y'))
{
printf("dont fry the probe, too long at with decoupling");
psg_abort(1);
}
if( pwC > 30.0e-6)
{
printf("dont fry the probe, too long pwC");
psg_abort(1);
}
if( dly_pg1 > 10.0e-3)
{
printf("dont fry the probe, too long dly_pg1");
psg_abort(1);
}
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t2,1,4);
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t2,2,4);
tsadd(t6,2,4);
}
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) );
}
tau1 = tau1/2.0;
/* 90-90 pulse for selective 180 of Cb but not Ca */
gp11 = 1/(2*fab) - 4/PI*pwsel90;
if (gp11 < 0.0) {
printf("gap of 90-90 negative, check fab and pwsel90");
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
/* Receiver off time */
status(A);
decoffset(dof);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
dec2power(dpwr2); /* Set Dec2 power for 15N decoupling */
/* Presaturation Period */
if(mess_flg[A] == 'y') {
obspower(tpwrmess);
rgpulse(dly_pg1,zero,20.0e-6,20.0e-6);
rgpulse(dly_pg1/1.62,one,20.0e-6,20.0e-6);
obspower(tsatpwr);
}
if (fsat[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,20.0e-6,20.0e-6);
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(zero);
dec2phase(zero);
decphase(zero);
delay(1.0e-5);
/* Begin Pulses */
rcvroff();
delay(10.0e-6);
/* first ensure that magnetization does infact start on H and not C */
decrgpulse(pwC,zero,2.0e-6,2.0e-6);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
/* this is the real start */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6); /* taua <= 1/4JCH */
simpulse(2*pw,2*pwC,zero,zero,0.0,0.0);
txphase(t1);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
delay(taua - gt1 - 4.0e-6);
rgpulse(pw,t1,0.0,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decphase(t2);
decpower(d_sel90);
decrgpulse(pwsel90,t2,2.0e-6,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0); /* bs effect */
delay(taue
- POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - PRG_START_DELAY);
/* H decoupling on */
obspower(tpwrml);
obsprgon("waltz16",pwmlev,90.0);
xmtron(); /* TURN ME OFF DONT FORGET */
/* Hldecoupling on */
delay(TCb + tau1 - taue - POWER_DELAY - 2.0e-6);
decphase(t3);
decpower(d_sel90);
decrgpulse(pwsel90,t3,2.0e-6,0.0);
delay(gp11);
decrgpulse(pwsel90,t3,0.0,0.0);
decphase(zero);
decpower(d_ar180a);
decshaped_pulse(ar180a,pwar180a,zero,2.0e-6,0.0);
delay(TCb - tau1
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwar180a - WFG_STOP_DELAY
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
/* H decoupling off */
xmtroff();
obsprgoff();
obspower(tpwr);
/* H decoupling off */
decoffset(dofar);
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decphase(t4);
decpower(d_sel90);
decrgpulse(pwsel90,t4,2.0e-6,0.0);
decphase(zero);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0); /* B.S. */
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - WFG_START_DELAY - 2.0e-6);
decphase(zero);
decpower(d_ar180b);
decshaped_pulse(ar180b,pwar180b,zero,2.0e-6,0.0);
decpower(d_cb180b);
decshaped_pulse(cb180b,pwcb180b,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(2.0e-6);
delay(taub
- WFG_STOP_DELAY
- POWER_DELAY - WFG_START_DELAY - 2.0e-6 - pwcb180b - WFG_STOP_DELAY
- gt4 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt5 - 102.0e-6 - 2.0e-6);
decphase(t5);
decpower(pwClvl);
decrgpulse(2*pwC,t5,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(100.0e-6);
txphase(zero);
delay(tauf - gt5 - 102.0e-6);
rgpulse(2*pw,zero,0.0,0.0);
delay(tauc - tauf - 2*pw
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(d_sel90);
decrgpulse(pwsel90,zero,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(gstab);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- POWER_DELAY - 2.0e-6);
decphase(zero);
decpower(pwClvl);
simpulse(2*pw,2*pwC,zero,zero,2.0e-6,0.0);
delay(2.0e-6);
zgradpulse(gzlvl7,gt7);
delay(2.0e-6);
delay(taud
- gt7 - 4.0e-6
- 2*POWER_DELAY);
decpower(dpwr); /* Set power for decoupling */
dec2power(dpwr2); /* Set power for decoupling */
rgpulse(pw,zero,0.0,0.0);
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */
/* sequence are declared and initialized as 0.0 in bionmr.h, and */
/* reinitialized below */
char f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
fil_flg1[MAXSTR],
had_flg[MAXSTR],
shname1[MAXSTR],
shname2[MAXSTR],
ala_flg[MAXSTR],
ser_flg[MAXSTR],
SE_flg[MAXSTR], /* SE_flg */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double d3_init=0.0, /* used for states tppi in t2 */
stCwidth = 80.0,
shpw1,shpw2, /* t1 delay */
tauCH = getval("tauCH"), /* 1/4J delay for CH */
tauC1 = getval("tauC1"),
tauC2 = getval("tauC2"),
tauC3 = getval("tauC3"),
had2,had3,
timeTN = getval("timeTN"), /* constant time for 15N evolution */
eta = 4.6e-3,
theta = 14.0e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwS1, pwS2, pwS3, pwS4, pwS5,pwS6,pwS7,
phi7cal = getval("phi7cal"), /* phase in degrees of the last C13 90 pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw2 = getval("sw2"),
gt3 = getval("gt3"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5"),
flip_angle=120.0,had1=0.0,
epsilon = getval("epsilon");
fil_flg1[0]='n';
ser_flg[0]='n'; /*initialize*/
getstr("f2180",f2180);
getstr("had_flg",had_flg);
getstr("shname1",shname1);
getstr("shname2",shname2);
getstr("TROSY",TROSY);
getstr("SE_flg",SE_flg);
/* LOAD PHASE TABLE */
settable(t1,4,phi1);
settable(t3,4,phi3);
settable(t4,1,phx);
settable(t5,2,phi5);
settable(t6,2,phi6);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,8,phi12);
settable(t13,8,rec2);
/* INITIALIZE VARIABLES */
shpw1 = pw*8.0;
shpw2 = pwC*8.0;
kappa = 5.4e-3;
lambda = 2.4e-3;
had2=0.5/135.0;
had3=0.5/135.0;
ala_flg[0]='n';
if (had_flg[0] == '1')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '2')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '3')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '4')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=120.0;had1=0.0;}
if (had_flg[0] == '5')
{ fil_flg1[0]='n';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '6')
{ fil_flg1[0]='y';ser_flg[0]='n';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '7')
{ fil_flg1[0]='n';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if (had_flg[0] == '8')
{ fil_flg1[0]='y';ser_flg[0]='y';flip_angle=60.0;had1=0.5/140.0;}
if( pwC > 20.0*600.0/sfrq )
{ printf("increase pwClvl so that pwC < 20*600/sfrq");
psg_abort(1); }
/* get calculated pulse lengths of shaped C13 pulses */
pwS1 = c13pulsepw("cab", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS4 = c_shapedpw("isnob5",80.0,0.0,zero, 2.0e-6, 2.0e-6);
pwS6 = c_shapedpw("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6); /* attention, y a aussi des 180 CaCb après les filtres*/
pwS7 = c_shapedpw(shname2,80.0,150.0,zero, 2.0e-6, 2.0e-6);
pwS5 = c_shapedpw("isnob5",30.0,0.0,zero, 2.0e-6, 2.0e-6);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 46 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y' )
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else {
if (SE_flg[0]=='y')
{
if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
else { if (phase2 == 2) {tsadd(t8,1,4); }
}
}
/* Set up f2180 */
tau2 = d3; /* run 2D exp for NH correlation, but must use tau2 instead of tau1
because bionmr.h is written for nh_evol* to do tau2 evolution*/
if((f2180[A] == 'y') && (ni2 > 1.0)) /* use f2180 to control tau2 */
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw1 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); tsadd(t13,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
set_c13offset("cab");
obsoffset(tof);
obspower(tpwr);
obspwrf(4095.0);
decpower(pwClvl);
decpwrf(4095.0);
dec2power(pwNlvl);
txphase(one);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(gstab);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(gstab);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);}
rgpulse(pw, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - WFG2_START_DELAY - 0.5e-3 + 68.0e-6 );
sim_c13adiab_inv_pulse("", "aliph", stCwidth, "sech1", 2.0*pw, 1.0e-3,
zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5, gt5);
delay(tauCH - gt5 - 0.5e-3 + 68.0e-6);
rgpulse(pw, one, 0.0, 0.0);
if (ser_flg[0] == 'n' )
delay(pwS5);
if (ser_flg[0] == 'y' )
c_shapedpulse("isnob5",30.0,24.0,zero, 2.0e-6, 2.0e-6);
/*********************************** transfer CB->CA + DEPT CBH **************/
zgradpulse(gzlvl3, gt3*1.2);
delay(gstab);
decrgpulse(pwC, t3, 0.0, 0.0);
rgpulse(pw, three, 0.0, 0.0);
if (flip_angle > 90.0) delay(pw*(flip_angle/90.0-1));
if (fil_flg1[0] == 'y')
{
/* JCOCA & JCOCB is turned on*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-pwS7-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5-pwS7);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'n')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(epsilon/4.0-pwS7*0.5-gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had2*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
if (had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5>0.0)
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(epsilon/4.0-pwS7*0.5-1.1*gt3);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay(had3*0.5-shpw1*0.5-epsilon/4.0-pwS7*0.5);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
}
else
{
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(epsilon/4.0-pwS7*0.5-had3*0.5-shpw1*0.5);
c_simshapedpulse(shname2,80.0,150.0,0.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-epsilon/4.0-pwS7*0.5);
}
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120/90*2))*0.5-pwS4*0.5-1.1*gt3);
}
if (fil_flg1[0] == 'c')
{
/* JCOCA & JCOCB is turned off*/
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
c_simshapedpulse("isnob5",80.0,0.0,pw*2.0,0.0,zero,zero,zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(had2*0.5-pwS4*0.5-gt3);
rgpulse(pw*flip_angle/90.0, t1, 0.0, 0.0);
if (flip_angle < 90.0) delay(pw*(1-flip_angle/90.0));
zgradpulse(gzlvl3, 1.1*gt3);
delay(had3*0.5-shpw1*0.5-1.1*gt3);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-had3*0.5-shpw1*0.5);
c_shapedpulse("isnob5",80.0,0.0,two, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, 1.1*gt3);
delay((tauC3-(had2+pw*120.0/90.0*2.0))*0.5-pwS4*0.5-1.1*gt3);
}
/*********************************** 2nd transfer CB->CA +DEPT CAH ***********/
decrgpulse(pwC, zero, 0.0, 0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC1-pwS3-pwS4*0.5);
c_shapedpulse("reburp",80.0,0.0,zero, 2.0e-6, 2.0e-6);
delay(tauC1-tauC2-pwS3-pwS4*0.5);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(tauC2-pw*8.0-had1);
shaped_pulse(shname1,shpw1,two,0.0,0.0);
delay(had1);
c13pulse("cab", "co", "square", 90.0, zero, 0.0, 0.0);
/******************************************************************************/
if(dm3[B] == 'y') /*optional 2H decoupling off */
{dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();}
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
h1decon("DIPSI2", 27.0, 0.0);/*POWER_DELAY+PWRF_DELAY+PRG_START_DELAY */
c13pulse("co", "ca", "sinc", 90.0, t5, 2.0e-6, 0.0); /* point e */
decphase(zero);
delay(eta - 2.0*POWER_DELAY - 2.0*PWRF_DELAY);
/* 2*POWER_DELAY+2*PWRF_DELAY */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0); /* pwS2 */
dec2phase(zero);
delay(theta - eta - pwS2 - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
initval(phi7cal, v7);
decstepsize(1.0);
dcplrphase(v7); /* SAPS_DELAY */
dec2phase(t8);
delay(theta - SAPS_DELAY);
if (SE_flg[0]=='y') /* point f */
{
nh_evol_se_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
else
{
nh_evol_train("co", "ca"); /* common part of sequence in bionmr.h */
if (dm3[B]=='y') lk_sample();
}
}
pulsesequence()
{
double gzlvl1,
gt1,
gzlvl3,
gt3,
gstab,
pwx2lvl,
pwx2,
tau,
gtau,
hsglvl,
hsgt;
char nullflg[MAXSTR],
sspul[MAXSTR];
int iphase,
icosel;
gzlvl1 = getval("gzlvl1");
gt1 = getval("gt1");
gzlvl3 = getval("gzlvl3");
gt3 = getval("gt3");
pwx2lvl = getval("pwx2lvl");
pwx2 = getval("pwx2");
hsglvl = getval("hsglvl");
hsgt = getval("hsgt");
gstab = getval("gstab");
getstr("nullflg",nullflg);
getstr("sspul",sspul);
iphase = (int)(getval("phase")+0.5);
icosel = 1;
tau = 1/(2*(getval("j1xh")));
gtau = 2*gstab + GRADIENT_DELAY;
if (tau < (gt3+gstab))
{
text_error("tau must be greater than gt3+gstab\n");
psg_abort(1);
}
settable(t1,2,ph1);
settable(t2,4,ph2);
settable(t3,4,ph3);
assign(zero,v4);
getelem(t1,ct,v1);
getelem(t3,ct,oph);
if (iphase == 2)
icosel = -1;
initval(2.0*(double)((int)(d2*getval("sw1")+0.5)%2),v10);
add(v1,v10,v1);
add(v4,v10,v4);
add(oph,v10,oph);
status(A);
dec2power(pwx2lvl);
if (sspul[0] == 'y')
{
zgradpulse(hsglvl,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(hsglvl,hsgt);
}
delay(d1);
status(B);
rcvroff();
if (nullflg[0] == 'y')
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(tau);
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,rof1,rof1);
delay(tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
rgpulse(pw,zero,rof1,rof1);
delay(tau - rof1 - (2*pw/PI));
dec2rgpulse(pwx2,v1,rof1,1.0e-6);
delay(gt1+gtau - (2*pwx2/PI) - pwx2 - 1.0e-6 - rof1);
dec2rgpulse(2*pwx2,v4,rof1,1.0e-6);
delay(gstab - pwx2 - 1.0e-6);
zgradpulse(gzlvl1,gt1);
delay(gstab - rof1 - pw);
delay(d2/2);
rgpulse(2.0*pw,zero,rof1,rof1);
delay(d2/2);
delay(gstab - rof1 - pw);
zgradpulse(gzlvl1,gt1);
delay(gstab - pwx2 - rof1);
dec2rgpulse(2*pwx2,zero,rof1,1.0e-6);
delay(gt1+gtau - (2*pwx2/PI) - pwx2 - 1.0e-6 - rof1);
dec2rgpulse(pwx2,t2,rof1,rof1);
delay(gstab - rof1);
zgradpulse(icosel*gzlvl3,gt3);
delay(tau - gt3 - gstab - GRADIENT_DELAY);
dec2power(dpwr2);
delay(rof2 - POWER_DELAY);
rcvron();
status(C);
}
pulsesequence()
{
char mixpat[MAXSTR], pshape[MAXSTR], httype[MAXSTR], sspul[MAXSTR];
double rg1 = 2.0e-6,
mix = getval("mix"), /* mixing time */
mixpwr = getval("mixpwr"), /* mixing pwr */
compH = getval("compH"),
gt0 = getval("gt0"), /* gradient pulse in sspul */
gt2 = getval("gt2"), /* gradient pulse preceding mixing */
gzlvl0 = getval("gzlvl0"), /* gradient level for gt0 */
gzlvl2 = getval("gzlvl2"), /* gradient level for gt2 */
gstab = getval("gstab"); /* delay for gradient recovery */
shape hdx;
void setphases();
getstr("sspul", sspul);
getstr("pshape", pshape);
getstr("httype", httype);
getstr("mixpat", mixpat);
setlimit("mixpwr", mixpwr, 48.0);
(void) setphases();
if (httype[0] == 'i')
assign(zero,v2);
/* MAKE PBOX SHAPES */
if (FIRST_FID)
hhmix = pbox_mix("HHmix", mixpat, mixpwr, pw*compH, tpwr);
/* HADAMARD stuff */
if(httype[0] == 'e') /* excitation */
hdx = pboxHT_F1e(pshape, pw*compH, tpwr);
else if(httype[0] == 'r') /* refocusing */
hdx = pboxHT_F1r(pshape, pw*compH, tpwr);
else if(httype[0] == 'd') /* DPFGSE */
{
hdx = pboxHT_F1r(pshape, pw*compH, tpwr);
if (FIRST_FID)
ref180 = hdx;
}
else /* httype[0] == 'i' */ /* inversion */
hdx = pboxHT_F1i(pshape, pw*compH, tpwr);
if (getval("htcal1") > 0.5) /* Optional fine power calibration */
hdx.pwr += getval("htpwr1");
/* THE PULSE PROGRAMM STARTS HERE */
status(A);
delay(5.0e-5);
zgradpulse(gzlvl0,gt0);
if (sspul[A] == 'y')
{
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
pre_sat();
if (getflag("wet"))
wet4(zero,one);
delay(1.0e-5);
obspower(tpwr);
delay(1.0e-5);
status(B);
if (httype[0] == 'i') /* longitudinal encoding */
{
ifzero(v1);
delay(2.0*(pw+rg1));
zgradpulse(gzlvl2,gt2);
delay(gstab);
elsenz(v1);
rgpulse(2.0*pw,v3,rg1,rg1);
zgradpulse(gzlvl2,gt2);
delay(gstab);
endif(v1);
pbox_pulse(&hdx, zero, rg1, rg1);
zgradpulse(gzlvl2,gt2);
delay(gstab);
}
else /* transverse encoding */
{
if (httype[0] == 'e')
pbox_pulse(&hdx, oph, rg1, rg1);
else
{
rgpulse(pw,oph,rg1,rg1);
if (httype[0] == 'd') /* DPFGSE */
{
zgradpulse(2.0*gzlvl2,gt2);
delay(gstab);
pbox_pulse(&ref180, oph, rg1, rg1);
zgradpulse(2.0*gzlvl2,gt2);
delay(gstab);
}
zgradpulse(gzlvl2,gt2);
delay(gstab);
pbox_pulse(&hdx, v2, rg1, rof2);
zgradpulse(gzlvl2,gt2);
delay(gstab - POWER_DELAY);
}
}
if (mix)
pbox_spinlock(&hhmix, mix, v2);
if (httype[0] == 'i')
{
zgradpulse(0.87*gzlvl2,gt2);
delay(gstab);
obspower(tpwr);
txphase(v3);
rgpulse(pw,v3,rg1,rof2);
}
status(C);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char satmode[MAXSTR],
fscuba[MAXSTR],
fc180[MAXSTR], /* Flag for checking sequence */
ddseq[MAXSTR], /* 2H decoupling seqfile */
fCTCa[MAXSTR], /* Flag for CT or non_CT on Ca dimension */
sel_flg[MAXSTR],
cbdecseq[MAXSTR];
int icosel,
ni = getval("ni"),
t1_counter; /* used for states tppi in t1 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
tau3, /* t2 delay */
taua, /* ~ 1/4JNH = 2.25 ms */
taub, /* ~ 1/4JNH = 2.25 ms */
tauc, /* ~ 1/4JCaC' = 4 ms */
taud, /* ~ 1/4JCaC' = 4.5 ms if bigTCo can be set to be
less than 4.5ms and then taud can be smaller*/
zeta, /* time for C'-N to refocuss set to 0.5*24.0 ms */
bigTCa, /* Ca T period */
bigTCo, /* Co T period */
bigTN, /* nitrogen T period */
BigT1, /* delay to compensate for gradient gt5 */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
sphase, /* small angle phase shift */
sphase1,
sphase2, /* used only for constant t2 period */
pwS4, /* selective CO 180 */
pwS3, /* selective Ca 180 */
pwS1, /* selecive Ca 90 */
pwS2, /* selective CO 90 */
cbpwr, /* power level for selective CB decoupling */
cbdmf, /* pulse width for selective CB decoupling */
cbres, /* decoupling resolution of CB decoupling */
gt1,
gt2,
gt3,
gt4,
gt5,
gt6,
gt7,
gt8,
gt9,
gt10,
gt11,
gt12,
gstab,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl6,
gzlvl7,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11,
gzlvl12,
compH = getval("compH"), /* adjustment for amplifier compression */
pwHs = getval ("pwHs"), /* H1 90 degree pulse at tpwrs */
tpwrs, /* power for pwHs ("H2osinc") pulse */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
swCa = getval("swCa"),
swCO = getval("swCO"),
swN = getval("swN"),
swTilt, /* This is the sweep width of the tilt vector */
cos_N, cos_CO, cos_Ca,
angle_N, angle_CO, angle_Ca;
angle_N=0.0; /*initialize variable*/
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("fc180",fc180);
getstr("fscuba",fscuba);
getstr("ddseq",ddseq);
getstr("fCTCa",fCTCa);
getstr("sel_flg",sel_flg);
taua = getval("taua");
taub = getval("taub");
tauc = getval("tauc");
taud = getval("taud");
zeta = getval("zeta");
bigTCa = getval("bigTCa");
bigTCo = getval("bigTCo");
bigTN = getval("bigTN");
BigT1 = getval("BigT1");
tpwr = getval("tpwr");
dpwr = getval("dpwr");
dpwr3 = getval("dpwr3");
sw1 = getval("sw1");
sw2 = getval("sw2");
sphase = getval("sphase");
sphase1 = getval("sphase1");
sphase2 = getval("sphase2");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt6 = getval("gt6");
gt7 = getval("gt7");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gt12 = getval("gt12");
gstab = getval("gstab");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl6 = getval("gzlvl6");
gzlvl7 = getval("gzlvl7");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
gzlvl12 = getval("gzlvl12");
/* Load variable */
cbpwr = getval("cbpwr");
cbdmf = getval("cbdmf");
cbres = getval("cbres");
tau1 = 0;
tau2 = 0;
tau3 = 0;
cos_N = 0;
cos_CO = 0;
cos_Ca = 0;
getstr("cbdecseq", cbdecseq);
/* LOAD PHASE TABLE */
settable(t1,1,phi1);
settable(t2,1,phi2);
settable(t3,4,phi3);
settable(t4,1,phi4);
settable(t5,1,phi5);
settable(t7,4,phi7);
settable(t8,4,phi8);
settable(t6,4,rec);
pwS1=c13pulsepw("ca", "co", "square", 90.0);
pwS2=c13pulsepw("co", "ca", "sinc", 90.0);
pwS3=c13pulsepw("ca", "co", "square", 180.0);
pwS4=c13pulsepw("co", "ca", "sinc", 180.0);
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( satpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 46 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pwClvl > 62 )
{
printf("don't fry the probe, pwClvl too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 200.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( gt3 > 2.5e-3 )
{
printf("gt3 is too long\n");
psg_abort(1);
}
if( gt1 > 10.0e-3 || gt2 > 10.0e-3 || gt4 > 10.0e-3 || gt5 > 10.0e-3
|| gt6 > 10.0e-3 || gt7 > 10.0e-3 || gt8 > 10.0e-3
|| gt9 > 10.0e-3 || gt10 > 10.0e-3 || gt11 > 50.0e-6)
{
printf("gt values are too long. Must be < 10.0e-3 or gt11=50us\n");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Set up angles and phases */
angle_CO=getval("angle_CO"); cos_CO=cos(PI*angle_CO/180.0);
angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0);
if ( (angle_CO < 0) || (angle_CO > 90) )
{ printf ("angle_CO must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( (angle_Ca < 0) || (angle_Ca > 90) )
{ printf ("angle_Ca must be between 0 and 90 degree.\n"); psg_abort(1); }
if ( 1.0 < (cos_CO*cos_CO + cos_Ca*cos_Ca) )
{
printf ("Impossible angles.\n"); psg_abort(1);
}
else
{
cos_N=sqrt(1.0- (cos_CO*cos_CO + cos_Ca*cos_Ca));
angle_N = 180.0*acos(cos_N)/PI;
}
swTilt=swCO*cos_CO + swCa*cos_Ca + swN*cos_N;
if (ix ==1)
{
printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n");
printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt);
printf ("Anlge_CO:\t%6.2f\n", angle_CO);
printf ("Anlge_Ca:\t%6.2f\n", angle_Ca);
printf ("Anlge_N :\t%6.2f\n", angle_N );
}
/* Set up hyper complex */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if (t1_counter % 2) { tsadd(t2,2,4); tsadd(t6,2,4); }
if (phase1 == 1) { ;} /* CC */
else if (phase1 == 2) { tsadd(t5,1,4);} /* SC */
else if (phase1 == 3) { tsadd(t1,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t5,1,4); tsadd(t1,1,4); } /* SS */
else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); }
if (phase2 == 2) { tsadd(t4,2,4); icosel = 1; } /* N */
else icosel = -1;
tau1 = 1.0*t1_counter*cos_Ca/swTilt;
tau2 = 1.0*t1_counter*cos_CO/swTilt;
tau3 = 1.0*t1_counter*cos_N/swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0;
/* CHECK VALIDITY OF PARAMETER RANGES */
if (bigTN - 0.5*ni*(cos_N/swTilt) + pwS4 < 0.2e-6)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((bigTN + pwS4)*2.0*swTilt/cos_N))); psg_abort(1);}
if ((fCTCa[A]=='y') && (bigTCa - 0.5*ni*(cos_Ca/swTilt) - WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6 < 0.2e-6))
{
printf(" ni is too big for Ca. Make ni equal to %d or less.\n",
(int) ((bigTCa -WFG_STOP_DELAY
- POWER_DELAY - gt11 - 50.2e-6)/(0.5*cos_Ca/swTilt)) );
psg_abort(1);
}
if (bigTCo - 0.5*ni*(cos_CO/swTilt) - 4.0e-6 - POWER_DELAY < 0.2e-6)
{
printf(" ni is too big for CO. Make ni equal to %d or less.\n",
(int) ((bigTCo - 4.0e-6 - POWER_DELAY) / (0.5*cos_CO/swTilt)) );
psg_abort(1);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obsoffset(tof);
obspower(satpwr); /* Set transmitter power for 1H presaturation */
obspwrf(4095.0);
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
decpwrf(4095.0);
dec2power(pwNlvl); /* Set Dec2 power for 15N hard pulses */
dec2pwrf(4095.0);
set_c13offset("ca"); /* set Dec1 carrier at Ca */
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 0.0,
zero, zero, zero, 2.0e-6, 0.0);
set_c13offset("co"); /* set Dec1 carrier at Co */
/* Presaturation Period */
if (satmode[0] == 'y')
{
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presaturation */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
txphase(one);
dec2phase(zero);
delay(1.0e-5);
/* Begin Pulses */
status(B);
rcvroff();
lk_hold();
shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0);
txphase(zero);
delay(2.0e-6);
/* xxxxxxxxxxxxxxxxxxxxxx 1HN to 15N TRANSFER xxxxxxxxxxxxxxxxxx */
rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(2.0e-6);
delay(taua - gt1 - 2.2e-6); /* taua <= 1/4JNH */
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
txphase(three); dec2phase(zero); decphase(zero);
delay(taua - gt1 - gstab -0.2e-6 - 2.0e-6);
delay(0.2e-6);
zgradpulse(gzlvl1, gt1);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxxx 15N to 13CO TRANSFER xxxxxxxxxxxxxxxxxx */
if(sel_flg[A] == 'n') {
rgpulse(pw,three,2.0e-6,0.0);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
delay( zeta + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
else {
rgpulse(pw,one,2.0e-6,0.0);
initval(1.0,v6);
dec2stepsize(45.0);
dcplr2phase(v6);
delay(0.2e-6);
zgradpulse(gzlvl2, gt2);
delay(gstab);
dec2rgpulse(pwN,zero,0.0,0.0);
dcplr2phase(zero); dec2phase(zero);
delay(1.34e-3 - SAPS_DELAY - 2.0*pw);
rgpulse(pw,one,0.0,0.0);
rgpulse(2.0*pw,zero,0.0,0.0);
rgpulse(pw,one,0.0,0.0);
delay( zeta - 1.34e-3 - 2.0*pw + pwS4 );
dec2rgpulse(2*pwN,zero,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
dec2phase(one);
delay(zeta - 2.0e-6);
dec2rgpulse(pwN,one,2.0e-6,0.0);
}
dec2phase(zero); decphase(zero);
delay(0.2e-6);
zgradpulse(gzlvl3, gt3);
delay(gstab);
/* xxxxxxxxxxxxxxxxxxxxx 13CO to 13CA TRANSFER xxxxxxxxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, zero, 2.0e-6, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - gt10 - 100.2e-6 - (0.5*10.933*pwC));
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
delay(2.0e-7);
zgradpulse(gzlvl10, gt10);
delay(100.0e-6);
delay(tauc - POWER_DELAY - 4.0e-6 - gt10 - 100.2e-6 - (0.5*10.933*pwC));
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
set_c13offset("ca"); /* change Dec1 carrier to Ca (55 ppm) */
delay(0.2e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
/* xxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxxxxxx */
/* Turn on D decoupling using the third decoupler */
dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
/* Turn on D decoupling */
c13pulse("ca", "co", "square", 90.0, t5, 2.0e-6, 0.0);
if (fCTCa[A]=='y')
{
/* Constant t2 */
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1);
decoff();
decprgoff();
decpower(pwClvl);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - 4.0*pwN - WFG_START_DELAY - pwS4
- WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
decpower(pwClvl);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
initval(1.0,v3);
decstepsize(140);
dcplrphase(v3);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl11, gt11);
delay(gstab);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(bigTCa - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt11 - gstab -0.2e-6);
decoff();
decprgoff();
}
/* non_constant t2 */
else
{
if (fc180[A]=='n')
{
if ((ni>1.0) && (tau1>0.0))
{
if (tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN > 0.0)
{
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decphase(zero); dec2phase(zero);
decpower(pwClvl);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 0.0, 0.0);
decpower(cbpwr);
decphase(zero);
decprgon(cbdecseq,1/cbdmf,cbres);
decon();
delay(tau1 - 2.0*pwS1/PI - PRG_START_DELAY - 2*POWER_DELAY -
PRG_STOP_DELAY - pwN);
decoff();
decprgoff();
decstepsize(1.0);
initval(sphase1, v3);
dcplrphase(v3);
}
else
{
tsadd(t6,2,4);
delay(2.0*tau1);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
tsadd(t6,2,4);
delay(10.0e-6);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
else
{
/* for checking sequence */
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 0.0);
}
}
decpower(pwClvl);
decphase(t7);
c13pulse("ca", "co", "square", 90.0, t7, 4.0e-6, 0.0);
dcplrphase(zero);
/* Turn off D decoupling */
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank();
/* Turn off D decoupling */
set_c13offset("co"); /* set carrier back to Co */
delay(0.2e-6);
zgradpulse(gzlvl12, gt12);
delay(gstab);
/* xxxxxxxxxxxxxxx 13CA to 13CO TRANSFER and CT 13CO EVOLUTION xxxxxxxxxxxxxxxxx */
c13pulse("co", "ca", "sinc", 90.0, t1, 2.0e-6, 0.0);
delay(tau2);
dec2rgpulse(pwN,one,0.0,0.0);
dec2rgpulse(2*pwN,zero,0.0,0.0);
dec2rgpulse(pwN,one,0.0,0.0);
delay(taud - 4.0*pwN - POWER_DELAY
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY));
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
decphase(t8);
initval(1.0,v4);
decstepsize(sphase);
dcplrphase(v4);
delay(bigTCo - taud
- 0.5*(WFG_START_DELAY + pwS3 + WFG_STOP_DELAY) );
c13pulse("co", "ca", "sinc", 180.0, t8, 0.0, 0.0);
dcplrphase(zero); decphase(one);
delay(bigTCo - tau2 - POWER_DELAY - 4.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 4.0e-6, 0.0);
delay(0.2e-6);
zgradpulse(gzlvl4, gt4);
delay(gstab);
/* t3 period */
dec2rgpulse(pwN,t2,2.0e-6,0.0);
dec2phase(t3);
delay(bigTN - tau3 + pwS4);
dec2rgpulse(2*pwN,t3,0.0,0.0);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
txphase(zero);
dec2phase(t4);
delay(bigTN - gt5 - gstab -0.2e-6 - 2.0*GRADIENT_DELAY
- 4.0e-6 - WFG_START_DELAY - pwS3 - WFG_STOP_DELAY);
delay(0.2e-6);
zgradpulse(icosel*gzlvl5, gt5);
delay(gstab);
c13pulse("ca", "co", "square", 180.0, zero, 4.0e-6, 0.0);
delay(tau3);
sim3pulse(pw,0.0,pwN,zero,zero,t4,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(2.0e-6);
dec2phase(zero);
delay(taub - gt6 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl6, gt6);
delay(200.0e-6);
txphase(one);
dec2phase(one);
delay(taub - gt6 - 200.2e-6);
sim3pulse(pw,0.0,pwN,one,zero,one,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(2.0e-6);
txphase(zero);
dec2phase(zero);
delay(taub - gt7 - 2.2e-6);
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl7, gt7);
delay(200.0e-6);
delay(taub - gt7 - 200.2e-6);
sim3pulse(pw,0.0,pwN,zero,zero,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(-gzlvl8, gt8/2.0);
delay(50.0e-6);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 0.5*(pwN - pw) - 2.0*pw/PI);
rgpulse(2*pw,zero,0.0,0.0);
delay(0.2e-6);
zgradpulse(gzlvl8, gt8/2.0);
delay(50.0e-6);
dec2power(dpwr2);
decpower(dpwr);
delay(BigT1 - gt8/2.0 - 50.2e-6 - 2.0*POWER_DELAY);
lk_sample();
/* rcvron(); */ /* Turn on receiver to warm up before acq */
/* BEGIN ACQUISITION */
status(C);
setreceiver(t6);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
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 AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
del = getval("del"), /* time delays for CH coupling evolution */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "rnacal" */
/* and string parameter rna_stCdec calls them from your shapelib.*/
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfC, /* maximum fine power when using pwC pulses */
dofa, /* dof shifted to 80 ppm for ribose */
/* p_d is used to calculate the isotropic mixing on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for 35 ppm */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
grecov = getval("grecov"), /* Gradient recovery delay, typically 150-200us */
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ text_error("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rfC = 4095.0;
/* Center dof in RIBOSE region on 80 ppm. */
dofa = dof - 30.0*dfrq;
/* dipsi-3 decoupling C-ribose */
p_d = (5.0)/(9.0*4.0*7000.0*(sfrq/800.0)); /* DIPSI-3 covers 35 ppm */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* 80 ppm STUD+ decoupling */
strcpy(rna_stCdec, "wurst80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 0.5*grecov )
{ text_error(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 0.5*grecov)); psg_abort(1);}
if((dm3[A] == 'y' || dm3[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' or 'nny' "); psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y'))
{ text_error("incorrect dec1 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( (((dm[C] == 'y') && (dm2[C] == 'y')) && (STUD[A] == 'y')) )
{ text_error("incorrect dec2 decoupler flags! Should be 'nnn' if STUD='y'"); psg_abort(1); }
if( dpwr > 50 )
{ text_error("don't fry the probe, DPWR too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( (pw > 20.0e-6) && (tpwr > 56) )
{ text_error("don't fry the probe, pw too high ! "); psg_abort(1); }
if( (pwC > 40.0e-6) && (pwClvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if( (pwN > 100.0e-6) && (pwNlvl > 56) )
{ text_error("don't fry the probe, pwN too high ! "); psg_abort(1); }
if ((dm3[B] == 'y' && dpwr3 > 44 ))
{ text_error ("Deuterium decoupling power too high ! "); psg_abort(1); }
if ((ncyc > 1 ) && (ix == 1))
{ text_error("mixing time is %f ms.\n",(ncyc*97.8*4*p_d)); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B]=='y') lk_sample();
delay(d1);
if (dm3[B]=='y') lk_hold();
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rfC);
obsoffset(tof);
decoffset(dofa);
dec2offset(dof2);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(grecov/2);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if(dm3[B] == 'y') /*optional 2H decoupling on */
{
dec3unblank();
dec3rgpulse(1/dmf3, one, 0.0, 0.0);
dec3unblank();
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rfC);
delay(tau2);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(tau2);
decpwrf(rfC);
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
delay(grecov+2.0e-6);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rfC);
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
delay(grecov + pwN);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfC);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (STUD[A]=='y') decpower(studlvl);
else
{
decpower(dpwr);
dec2power(dpwr2);
}
zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
if(dm3[B] == 'y')
delay(0.5*del - gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - POWER_DELAY);
else
delay(0.5*del - gt1 - 2.0*GRADIENT_DELAY - POWER_DELAY);
if(dm3[B] == 'y') /*optional 2H decoupling off */
{
dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank();
setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3);
dec3blank();
}
decpower(dpwr); /* POWER_DELAY */
if (dm3[B]=='y') lk_sample();
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(rna_stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
else
status(C);
setreceiver(t11);
}
void pulsesequence()
{
char c1d[MAXSTR]; /* option to record only 1D C13 spectrum */
int ncyc;
double tau1 = 0.002, /* t1 delay */
post_del = 0.0,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
compC = getval("compC"),
compH = getval("compH"),
mixpwr = getval("mixpwr"),
jCH = getval("jCH"),
gt0 = getval("gt0"),
gt1 = getval("gt1"),
gt2 = getval("gt2"),
gzlvl0 = getval("gzlvl0"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
grec = getval("grec"),
phase = getval("phase");
getstr("c1d",c1d);
ncyc=1;
if(jCH > 0.0)
tau1 = 0.25/jCH;
dbl(ct, v1); /* v1 = 0 */
mod4(v1,oph);
hlv(ct,v2);
add(v2,v1,v2);
if (phase > 1.5)
incr(v1); /* hypercomplex phase increment */
initval(2.0*(double)((int)(d2*getval("sw1")+0.5)%2),v10);
add(v1,v10,v1);
add(oph,v10,oph);
mod4(v1,v1); mod4(v2,v2); mod4(oph,oph);
assign(zero,v3);
if(FIRST_FID)
{
HHmix = pbox_mix("HHmix", "DIPSI2", mixpwr, pw*compH, tpwr);
if(c1d[A] == 'n')
{
opx("CHdec"); setwave("WURST2 30k/1.2m"); pbox_par("steps","600"); cpx(pwC*compC, pwClvl);
CHdec = getDsh("CHdec");
}
}
ncyc = (int) (at/HHmix.pw) + 1;
post_del = ncyc*HHmix.pw - at;
/* BEGIN PULSE SEQUENCE */
status(A);
zgradpulse(gzlvl0, gt0);
rgpulse(pw, zero, 0.0, 0.0); /* destroy H-1 magnetization*/
zgradpulse(gzlvl0, gt0);
delay(1.0e-4);
obspower(tpwr);
txphase(v1);
decphase(zero);
dec2phase(zero);
presat();
obspower(tpwr);
delay(1.0e-5);
status(B);
if(c1d[A] == 'y')
{
rgpulse(pw,v1,0.0,0.0); /* 1H pulse excitation */
delay(d2);
rgpulse(pw,two,0.0,0.0); /* 1H pulse excitation */
assign(oph,v3);
}
else
{
decunblank(); pbox_decon(&CHdec);
rgpulse(pw,v1,0.0,0.0); /* 1H pulse excitation */
txphase(zero);
delay(d2);
pbox_decoff(); decblank();
decpower(pwClvl); decpwrf(4095.0);
delay(tau1 - POWER_DELAY);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
txphase(one); decphase(one); dec2phase(one);
delay(tau1);
simpulse(pw, pwC, one, one, 0.0, 0.0);
txphase(zero); decphase(zero); dec2phase(zero);
delay(tau1);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
delay(tau1);
simpulse(0.0, pwC, zero, zero, 0.0, 0.0);
}
zgradpulse(gzlvl1, gt1);
delay(grec);
simpulse(0.0, pwC, zero, v3, 0.0, rof2);
txphase(v2);
obsunblank(); pbox_xmtron(&HHmix);
status(C);
setactivercvrs("ny");
startacq(alfa);
acquire(np,1.0/sw);
endacq();
delay(post_del);
pbox_xmtroff(); obsblank();
zgradpulse(gzlvl2, gt2);
obspower(tpwr);
delay(grec);
rgpulse(pw,zero,0.0,rof2); /* 1H pulse excitation */
status(D);
setactivercvrs("yn");
startacq(alfa);
acquire(np,1.0/sw);
endacq();
}
pulsesequence()
{
void makeHHdec(), makeCdec(); /* utility functions */
int ihh=1, /* used in HH decoupling to improve water suppression */
t1_counter;
char C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1 */
Hdecflg[MAXSTR], /* HH-h**o decoupling flag */
Cdecflg[MAXSTR], /* low power C-13 decoupling flag */
TROSY[MAXSTR],
wtg3919[MAXSTR];
double tauxh, tau1,
pwNt = 0.0, /* pulse only active in the TROSY option */
gsign = 1.0,
/* temporary Pbox parameters */
bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */
gzlvl3=getval("gzlvl3"),
gt3=getval("gt3"),
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rfst = 4095.0, /* fine power for the stCall pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compr-n */
tpwrsf = getval("tpwrsf"); /* adjustment for soft pulse power*/
/* INITIALIZE VARIABLES */
getstr("C13refoc",C13refoc);
getstr("TROSY",TROSY);
getstr("wtg3919",wtg3919);
getstr("Hdecflg", Hdecflg);
getstr("Cdecflg", Cdecflg);
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if (C13refoc[A]=='y')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }
}
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if (C13refoc[A]=='y')
{
ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */
bw = 200.0*ppm; nst = 1000; /* nst - number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
C13ofs = 100.0;
}
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
if (C13refoc[A]=='y') rfst = stC200.pwrf;
if (wtg3919[0] != 'y')
{
pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */
}
}
if (tpwrsf<4095.0) tpwrs = tpwrs + 6.0;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
if(Cdecflg[0] == 'y') makeCdec(); /* make shapes for HH h**o-decoupling */
if(Hdecflg[0] == 'y') makeHHdec();
if(Hdecflg[0] != 'n') ihh = -3;
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr > 0 )
{ text_error("don't fry the probe, dpwr too large! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
if ((TROSY[A]=='y') && (dm2[C] == 'y'))
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1); }
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
tau1 = d2/2.0 - pw;
if(tau1 < 0.0) tau1 = 0.0;
/* LOAD PHASE TABLES */
settable(t6, 4, recT);
if (TROSY[A] == 'y')
{ gsign = -1.0;
pwNt = pwN;
assign(zero,v7);
assign(two,v8);
settable(t1, 1, phT1);
settable(t2, 4, phT2);
settable(t3, 1, phT4);
settable(t4, 1, phT4);
settable(t5, 4, recT); }
else
{ assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 1, phi4);
settable(t5, 8, rec); }
if ( phase1 == 2 ) /* Hypercomplex in t1 */
{ if (TROSY[A] == 'y')
{ tsadd(t3, 2, 4); tsadd(t5, 2, 4); }
else tsadd(t2, 1, 4); }
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); tsadd(t6,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl);
decpwrf(rfst);
if(Hdecflg[0] != 'n')
{
delay(5.0e-5);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(1.5*gzlvl3, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,rof1,0.0);
rgpulse(pw,one,0.0,rof1);
zgradpulse(-gzlvl3, 0.5e-3);
}
delay(d1);
rcvroff();
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
zgradpulse(0.5*gsign*ihh*gzlvl3,gt3);
delay(200.0e-6);
decphase(zero);
if (TROSY[A] == 'y')
{
txphase(t3);
if ( phase1 == 2 )
dec2rgpulse(pwN, t6, rof1, 0.0);
else
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (d2 > 1.0e-3 + 2.0*WFG2_START_DELAY) )
{
delay(d2/2.0 - 0.5e-3 - WFG2_START_DELAY);
decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(d2/2.0 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
delay(d2);
rgpulse(pw, t3, 0.0, rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1);
zgradpulse(0.65*gzlvl3,gt3);
delay(tauxh-gt3 );
sim3pulse(pw,0.0,pwN,zero,zero,t3,rof1,rof1);
}
else
{
txphase(t4);
dec2rgpulse(pwN, t2, rof1, 0.0);
if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) )
{
delay(tau1 - 0.5e-3 - WFG2_START_DELAY);
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, t4, zero, 0.0, 0.0);
dec2phase(t3);
delay(tau1 - 0.5e-3 - WFG2_STOP_DELAY);
}
else
{
delay(tau1);
rgpulse(2.0*pw, t4, 0.0, 0.0);
dec2phase(t3);
delay(tau1);
}
dec2rgpulse(pwN, t3, 0.0, 0.0);
zgradpulse(0.5*gzlvl3,gt3);
delay(200.0e-6);
rgpulse(pw, two, rof1, rof1);
}
zgradpulse(gzlvl3,gt3);
txphase(v7); dec2phase(zero);
delay(tauxh-gt3-pwHs-rof1+5.0e-5);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs); if (tpwrsf<4095.0) obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0) obspwrf(4095.0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs); if (tpwrsf<4095.0)obspwrf(tpwrsf);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr); if (tpwrsf<4095.0)obspwrf(4095.0);
}
zgradpulse(gzlvl3,gt3);
if(Cdecflg[0] == 'y')
{
delay(tauxh-gt3-pwHs-rof1-pwNt-3.0*POWER_DELAY-PRG_START_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
pbox_decon(&Cdseq);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
else
{
delay(tauxh-gt3-pwHs-rof1-pwNt-POWER_DELAY);
dec2rgpulse(pwNt, zero, rof1, rof1);
dec2power(dpwr2);
rcvron();
statusdelay(C,5.0e-5);
setreceiver(t5);
if(Hdecflg[0] == 'y')
homodec(&HHdseq);
}
}
void pulsesequence()
{
double gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gzlvl_max = getval("gzlvl_max"),
del = getval("del"),
dosyfrq=getval("sfrq"),
gstab = getval("gstab"),
gzlvlhs = getval("gzlvlhs"),
hsgt = getval("hsgt"),
gtau,tauc,gt4,gzlvl4,Ddelta,dosytimecubed;
char convcomp[MAXSTR],sspul[MAXSTR],lkgate_flg[MAXSTR],satmode[MAXSTR],
alt_grd[MAXSTR],arraystring[MAXSTR];
int iphase, icosel;
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gt1 = syncGradTime("gt1","gzlvl1",1.0);
gzlvl1 = syncGradLvl("gt1","gzlvl1",1.0);
gtE = syncGradTime("gtE","gzlvlE",1.0);
gzlvlE = syncGradLvl("gtE","gzlvlE",1.0);
getstr("sspul",sspul);
getstr("convcomp",convcomp);
getstr("satmode",satmode);
getstr("lkgate_flg",lkgate_flg);
getstr("alt_grd",alt_grd);
getstr("array",arraystring);
iphase = (int)(getval("phase")+0.5);
icosel = 1;
tau = 1/(2*(getval("jnxh")));
gtau = 2*gstab + GRADIENT_DELAY;
tauc = gtau+gtE-gstab;
if (strcmp(arraystring,"gzlvl1,phase")!=0)
fprintf(stdout,"Warning: array should be 'gzlvl1,phase' for this experiment");
Ddelta=gt1; /* the diffusion-encoding pulse width is gt1 */
if (convcomp[0] == 'y') dosytimecubed=2.0*Ddelta*Ddelta*(del-2.0*(Ddelta/3.0));
else dosytimecubed=2.0*Ddelta*Ddelta*(del-(Ddelta/3.0));
putCmd("makedosyparams(%e,%e)\n",dosytimecubed,dosyfrq);
if (ni>1) putCmd("dosy3Dproc=\'y\'\n");
else putCmd("dosy3Dproc=\'n\'");
if (tau < (gtE+gstab))
{
abort_message("0.5/jnxh must be greater than gtE+gstab");
}
if (tau < (1.0*(gt1+gstab)+del))
{
abort_message("0.5/jnxh must be greater than del+gt1+gstab");
}
settable(t1,2,ph1);
settable(t2,4,ph2);
settable(t3,4,ph3);
assign(zero,v4);
getelem(t1,ct,v1);
getelem(t3,ct,oph);
if (iphase == 2) icosel = -1;
initval(2.0*(double)((int)(d2*getval("sw1")+0.5)%2),v11);
add(v1,v11,v1);
add(v4,v11,v4);
add(oph,v11,oph);
mod2(ct,v10); /* gradients change sign at odd transients */
status(A);
decpower(pwxlvl);
if (sspul[0] == 'y')
{
zgradpulse(gzlvlhs,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvlhs,hsgt);
}
if (lkgate_flg[0]=='y') lk_sample(); /* turn lock sampling on */
if (convcomp[0]=='y')
gt4=gt1*2.0;
else
gt4=gt1;
gzlvl4=sqrt(gzlvl_max*gzlvl_max-gzlvl1*gzlvl1);
if (satmode[0] == 'y')
{
if (d1 - satdly > 0) delay(d1 - satdly);
obspower(satpwr);
rgpulse(satdly,zero,rof1,rof1);
obspower(tpwr);
}
else
{ delay(d1); }
if (getflag("wet")) wet4(zero,one);
if (lkgate_flg[0]=='y') lk_hold(); /* turn lock sampling off */
status(B);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl4,gt4);
elsenz(v10);
zgradpulse(-1.0*gzlvl4,gt4);
endif(v10);
}
else zgradpulse(gzlvl4,gt4);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl4,gt4);
elsenz(v10);
zgradpulse(gzlvl4,gt4);
endif(v10);
}
else zgradpulse(-1.0*gzlvl4,gt4);
delay(gstab);
rgpulse(pw,zero,rof1,1.0e-6);
if (convcomp[0]=='y')
{
delay((tau - 1.0e-6 - (2*pw/PI)-del-2.333*gt1-2.0*gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
delay((tau - 1.0e-6 - (2*pw/PI)-del-2.333*gt1)/2.0);
}
else
{
delay((tau - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay((tau - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
}
decrgpulse(pwx,v1,1.0e-6,1.0e-6);
delay(gtE+gtau);
decrgpulse(2*pwx,v4,1.0e-6,1.0e-6);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvlE,gtE);
elsenz(v10);
zgradpulse(-1.0*gzlvlE,gtE);
endif(v10);
}
else zgradpulse(gzlvlE,gtE);
delay(gstab);
if (d2/2 > pw)
delay(d2/2 - pw);
else
delay(d2/2);
rgpulse(2.0*pw,zero,1.0e-6,1.0e-6);
if (d2/2 > pw)
delay(d2/2 - pw);
else
delay(d2/2);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvlE,gtE);
elsenz(v10);
zgradpulse(-1.0*gzlvlE,gtE);
endif(v10);
}
else zgradpulse(gzlvlE,gtE);
delay(gstab);
decrgpulse(2*pwx,zero,1.0e-6,1.0e-6);
delay(gtE+gtau);
decrgpulse(pwx,t2,1.0e-6,1.0e-6);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(icosel*2.0*gzlvlE/EDratio,gtE);
elsenz(v10);
zgradpulse(-1.0*icosel*2.0*gzlvlE/EDratio,gtE);
endif(v10);
}
else zgradpulse(icosel*2.0*gzlvlE/EDratio,gtE);
if (convcomp[0]=='y')
{
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-2.333*gt1-2.0*gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
}
else delay(del/2.0-5.0*gt1/6.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
if (satmode[1] == 'y')
{ rgpulse(del/2.0-5.0*gt1/6.0-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del/2.0-5.0*gt1/6.0);
zgradpulse(-gzlvl1,gt1);
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-2.333*gt1)/2.0);
if (lkgate_flg[0]=='y') lk_sample();
}
else
{
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(-1.0*gzlvl1,gt1);
elsenz(v10);
zgradpulse(gzlvl1,gt1);
endif(v10);
}
else zgradpulse(-1.0*gzlvl1,gt1);
if (satmode[1] == 'y')
{ obspower(satpwr);
rgpulse(del-gt1-2.0*rof1,zero,rof1,rof1);
obspower(tpwr);
}
else delay(del-gt1);
if (alt_grd[0] == 'y')
{ ifzero(v10);
zgradpulse(gzlvl1,gt1);
elsenz(v10);
zgradpulse(-1.0*gzlvl1,gt1);
endif(v10);
}
else zgradpulse(gzlvl1,gt1);
delay(gstab);
delay((tau-tauc - 1.0e-6 - (2*pw/PI)-del-gt1-gstab)/2.0);
if (lkgate_flg[0]=='y') lk_sample();
}
decpower(dpwr);
delay(rof2 - POWER_DELAY);
status(C);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
TROSY[MAXSTR]; /* To check for TROSY flag */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double p_d,
rfd,
ncyc,
COmix = getval("COmix"),
p_trim,
rftrim,
tau1, /* t1 delay */
tau2, /* t2 delay */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC3" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC3a = getval("pwC3a"), /* pwC3a=pwC3, but not set to zero when pwC3=0 */
phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */
pwZ, /* the largest of pwC3 and 2.0*pwN */
pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3a;
rf3 = (int) (rf3 + 0.5);
/* the pwC3 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN;
if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC3 = pwC3a;
if ( pwC3 > 0 ) phshift3 = 48.0;
else phshift3 = 0.0;
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ;
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* dipsi-3 decoupling on COCO */
p_trim = 1/(4*5000*(sfrq/600.0)); /* 5 kHz trim pulse at 600MHz as per Bax */
p_d = (5.0)/(9.0*4.0*2800.0*(sfrq/600.0)); /* 2.8 kHz DIPSI-3 at 600MHz as per Bax*/
rftrim = (compC*4095.0*pwC)/p_trim;
rftrim = (int)(rftrim+0.5);
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = ((COmix - 0.002)/51.8/4/p_d);
ncyc = (int) (ncyc + 0.5);
initval(ncyc,v9);
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 50.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( (pwN > 100.0e-6) && (ni>1 || ni2>1))
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A] == 'y')
{ printf(" TROSY option is not implemented"); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (phase2 == 2)
{tsadd(t10,2,4); icosel = +1;}
else
icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(zero);
delay(1.0e-5);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(zero);
if (tpwrsf<4095.0) {obspower(tpwrs+6.0); obspwrf(tpwrsf);}
else obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(t3);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
/***************************************************************/
/* The sequence is different from here with respect to ghn_co **/
/***************************************************************/
rgpulse(pwHd,one,2.0e-6,0.0); /* H1 decoupler is turned on */
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0);
decphase(zero);
/* Refocus CO, evolve CO, spinlock CO and defocus CO */
delay(timeTN - tau1/2 - 0.6*pwC6 - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("", "offC8","",0.0,pwC8, 2.0*pwN, zero,zero,zero,0.0,0.0);
decpwrf(rf3);
delay(timeTN - WFG3_STOP_DELAY - WFG_START_DELAY - pwC3a/2);
decshaped_pulse("offC3",pwC3a,zero,0.0,0.0);
if (tau1 > 0)
delay(tau1/2 - WFG_STOP_DELAY - pwC3a/2 - 2.0e-6);
else
delay(tau1/2);
/*******DO SPINLOCK ********/
decpwrf(rftrim);
decrgpulse(0.002,zero,2.0e-6,0.0);
decpwrf(rfd);
starthardloop(v9);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,two,0.0,0.0);
decrgpulse(8.2*p_d,zero,0.0,0.0);
decrgpulse(5.8*p_d,two,0.0,0.0);
decrgpulse(5.7*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.5*p_d,two,0.0,0.0);
decrgpulse(5.3*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.4*p_d,zero,0.0,0.0);
decrgpulse(8.2*p_d,two,0.0,0.0);
decrgpulse(5.8*p_d,zero,0.0,0.0);
decrgpulse(5.7*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.5*p_d,zero,0.0,0.0);
decrgpulse(5.3*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
endhardloop();
decpwrf(4095.0);
/* End of spinlock */
delay(timeTN - WFG3_START_DELAY);
decpwrf(rf8);
sim3shaped_pulse("","offC8","",0.0,pwC8,2*pwN,zero,zero,zero,0.0,0.0);
decpwrf(rf6);
delay(timeTN - WFG3_STOP_DELAY);
/***************************************************************/
/* The sequence is same as ghn_co from this point ********/
/***************************************************************/
decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
dec2phase(t8);
zgradpulse(gzlvl4, gt4);
txphase(one);
dcplrphase(zero);
delay(2.0e-4);
dec2rgpulse(pwN, t8, 0.0, 0.0);
decphase(zero);
dec2phase(t9);
decpwrf(rf8);
delay(timeTN - WFG3_START_DELAY - tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9, 0.0, 0.0);
dec2phase(t10);
decpwrf(rf3);
if (tau2 > kappa)
{
delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3a - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0);
delay(tau2);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
delay(lambda - 0.65*pwN - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,0.0);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4);
setreceiver(t12);
}
pulsesequence()
{
double del = getval("del"),
gstab = getval("gstab"),
gt1 = getval("gt1"),
gzlvl1 = getval("gzlvl1"),
gt2 = getval("gt2"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"),
gzlvl0 = getval("gzlvl0"),
gths = getval("gths"),
gzlvlhs = getval("gzlvlhs"),
satpwr = getval("satpwr"),
satdly = getval("satdly"),
satfrq = getval("satfrq"),
trim = getval("trim"),
trimpwr = getval("trimpwr"),
mix = getval("mix"),
wrefpwr = getval("wrefpwr"),
wrefpw = getval("wrefpw"),
wrefpwrf = getval("wrefpwrf");
char delflag[MAXSTR],satmode[MAXSTR],dpfgse_flg[MAXSTR],sspul[MAXSTR],
trim_flg[MAXSTR],alt_grd[MAXSTR],wrefshape[MAXSTR];
getstr("delflag",delflag);
getstr("satmode",satmode);
getstr("dpfgse_flg",dpfgse_flg);
getstr("trim_flg", trim_flg);
getstr("alt_grd",alt_grd);
getstr("wrefshape", wrefshape);
getstr("sspul",sspul);
if (alt_grd[0] == 'y') mod2(ct,v6);
/* alternate gradient sign on every 2nd transient */
/* SET PHASES */
sub(ct,ssctr,v12); /* Steady-state phase cycling */
settable(t1, 2, phi1); getelem(t1,v12,v1);
settable(t2, 8, phi2); getelem(t2,v12,v2);
settable(t3,16, phi3); getelem(t3,v12,v3);
settable(t4,64, phi4); getelem(t4,v12,v4);
settable(t5,64, rec); getelem(t5,v12,oph);
/* equilibrium period */
status(A);
obspower(tpwr);
if (sspul[A] == 'y')
{
zgradpulse(gzlvl0,gt0);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(gzlvl0,gt0);
}
if (satmode[0] == 'y')
{
if (d1 - satdly > 0) delay(d1 - satdly);
else delay(0.02);
obspower(satpwr);
if (satfrq != tof) obsoffset(satfrq);
rgpulse(satdly,zero,rof1,rof1);
if (satfrq != tof) obsoffset(tof);
obspower(tpwr);
delay(1.0e-5);
}
else delay(d1);
status(B);
/* first part of bppdel sequence */
if (delflag[0]=='y')
{ if (gt1>0 && gzlvl1>0)
{ rgpulse(pw, zero, rof1, 0.0); /* first 90, zero */
ifzero(v6); zgradpulse(gzlvl1,gt1/2.0);
elsenz(v6); zgradpulse(-1.0*gzlvl1,gt1/2.0); endif(v6);
delay(gstab);
rgpulse(pw*2.0, zero, rof1, 0.0); /* first 180, zero */
ifzero(v6); zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v6); zgradpulse(gzlvl1,gt1/2.0); endif(v6);
delay(gstab);
rgpulse(pw, v1, rof1, 0.0); /* second 90, v1 */
if (satmode[1] == 'y')
{
obspower(satpwr);
rgpulse(del-4.0*pw-3.0*rof1-gt1-2.0*gstab,zero,rof1,rof1);
obspower(tpwr);
}
else
{
delay(del-4.0*pw-3.0*rof1-gt1-2.0*gstab);/*diffusion delay */
}
rgpulse(pw, v2, rof1, 0.0); /* third 90, v2 */
ifzero(v6); zgradpulse(gzlvl1,gt1/2.0);
elsenz(v6); zgradpulse(-1.0*gzlvl1,gt1/2.0); endif(v6);
delay(gstab);
rgpulse(pw*2.0, zero, rof1, rof1); /* second 180, zero */
ifzero(v6); zgradpulse(-1.0*gzlvl1,gt1/2.0);
elsenz(v6); zgradpulse(gzlvl1,gt1/2.0); endif(v6);
delay(gstab);
rgpulse(pw, v3, rof1, rof1); /* mixing 90, v3 */
delay(0.7*mix);
ifzero(v6); zgradpulse(gzlvlhs,gths);
elsenz(v6); zgradpulse(-1.0*gzlvlhs,gths); endif(v6);
delay(0.3*mix-gths);
if ((dpfgse_flg[A] == 'n')&&(trim_flg[0] == 'n')) rgpulse(pw, v4, rof1, rof2);
else rgpulse(pw, v4, rof1, rof1); /* read pulse */
/* DPFGSE block */
if (dpfgse_flg[A] == 'y')
{
add(v4,two,v7);
ifzero(v6); zgradpulse(gzlvl2,gt2);
elsenz(v6); zgradpulse(-gzlvl2,gt2); endif(v6);
obspower(wrefpwr+6); obspwrf(wrefpwrf);
delay(gstab);
shaped_pulse(wrefshape,wrefpw,v7,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
rgpulse(2.0*pw,v4,rof1,rof1);
ifzero(v6); zgradpulse(gzlvl2,gt2);
elsenz(v6); zgradpulse(-gzlvl2,gt2); endif(v6);
obspower(wrefpwr+6); obspwrf(wrefpwrf);
delay(gstab);
ifzero(v6); zgradpulse(1.2*gzlvl2,gt2);
elsenz(v6); zgradpulse(-1.2*gzlvl2,gt2); endif(v6);
delay(gstab);
shaped_pulse(wrefshape,wrefpw,v7,rof1,rof1);
obspower(tpwr); obspwrf(4095.0);
if (trim_flg[A] == 'y') rgpulse(2.0*pw,v4,rof1,0.0);
else rgpulse(2.0*pw,v4,rof1,rof2);
ifzero(v6); zgradpulse(1.2*gzlvl2,gt2);
elsenz(v6); zgradpulse(-1.2*gzlvl2,gt2); endif(v6);
delay(gstab);
}
if (trim_flg[A] == 'y')
{ obspower(trimpwr);
add(v4,one,v5);
rgpulse(trim,v5,rof1,rof2);
}
}
}
else
rgpulse(pw,oph,rof1,rof2);
/* --- observe period --- */
status(C);
}
void pulsesequence()
{
char codec[MAXSTR], codecseq[MAXSTR];
int icosel, t1_counter;
double d2_init = 0.0,
rf0 = 4095, rf200, pw200,
copwr, codmf, cores, copwrf,
tpwrs,
pwHs = getval("pwHs"),
compH = getval("compH"),
pwClvl = getval("pwClvl"),
pwC = getval("pwC"),
compC = getval("compC"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
sw1 = getval("sw1"),
swH = getval("swH"),
swC = getval("swC"),
swN = getval("swN"),
swTilt,
angle_H = getval("angle_H"),
angle_C = getval("angle_C"),
angle_N,
cos_H,
cos_C,
cos_N,
mix = getval("mix"),
tauCH = getval("tauCH"), /* 1/4JCH */
tauNH = getval("tauNH"), /* 1/4JNH */
tau1, tau2, tau3,
tofali =getval("tofali"), /* aliphatic protons offset */
dofcaco =getval("dofcaco"), /* offset for caco decoupling, ~120 ppm */
dof = getval("dof"),
gstab = getval("gstab"),
gt0 = getval("gt0"), gzlvl0 = getval("gzlvl0"),
gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"),
gt4 = getval("gt4"), gzlvl4 = getval("gzlvl4"),
gt5 = getval("gt5"), gzlvl5 = getval("gzlvl5"),
gt6 = getval("gt6"), gzlvl6 = getval("gzlvl6"),
gt7 = getval("gt7"), gzlvl7 = getval("gzlvl7"),
gt8 = getval("gt8"), gzlvl8 = getval("gzlvl8"),
gt9 = getval("gt9"), gzlvl9 = getval("gzlvl9");
/* LOAD VARIABLES */
copwr = getval("copwr"); copwrf = getval("copwrf");
codmf = getval("codmf"); cores = getval("cores");
getstr("codecseq", codecseq); getstr("codec", codec);
/* Load phase cycling variables */
settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 1, phi3);
settable(t4, 8, phi4); settable(t5, 1, phi5); settable(t14, 2, phi14);
settable(t11, 8, rec);
angle_N=0.0; cos_N=0.0;
/* activate auto-calibration flags */
setautocal();
if (autocal[0] == 'n')
{
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
pw200 = getval("pw200");
rf200 = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rf200 = (int) (rf200 + 0.5);
if (1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) );
psg_abort(1); }
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
strcpy(codecseq,"Pdec_154p");
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000;
/* 1 ms long pulse, nst: number of steps */
stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst);
bw=20.0*ppm; ofs=154*ppm;
Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl);
}
rf200 = stC200.pwrf; pw200 = stC200.pw;
}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
tpwrs = (int)(tpwrs+0.5);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y'))
{ printf("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ printf("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if ((dpwr > 48) || (dpwr2 > 48))
{ printf("don't fry the probe, dpwr too high! "); psg_abort(1); }
/* set up angles for PR42 experiments */
/* sw1 is used as symbolic index */
if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); }
if (angle_H < 0 || angle_C < 0 || angle_H > 90 || angle_C > 90 )
{ printf("angles must be set between 0 and 90 degree.\n"); psg_abort(1); }
cos_H = cos (PI*angle_H/180); cos_C = cos (PI*angle_C/180);
if ( (cos_H*cos_H + cos_C*cos_C) > 1.0) { printf ("Impossible angle combinations.\n"); psg_abort(1); }
else { cos_N = sqrt(1 - (cos_H*cos_H + cos_C*cos_C) ); angle_N = acos(cos_N)*180/PI; }
if (ix == 1) d2_init = d2;
t1_counter = (int)((d2-d2_init)*sw1 + 0.5);
if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); }
swTilt = swH*cos_H + swC*cos_C + swN*cos_N;
if (phase1 == 1) {;} /* CC */
else if (phase1 == 2) { tsadd(t1, 1, 4); } /* SC */
else if (phase1 == 3) { tsadd(t2, 1, 4); tsadd(t14,1,4); } /* CS */
else if (phase1 == 4) { tsadd(t1, 1, 4); tsadd(t2,1,4); tsadd(t14,1,4); } /* SS */
if ( phase2 == 1 ) { tsadd(t5,2,4); icosel = 1; }
else icosel = -1;
tau1 = 1.0 * t1_counter * cos_H / swTilt;
tau2 = 1.0 * t1_counter * cos_C / swTilt;
tau3 = 1.0 * t1_counter * cos_N / swTilt;
tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 =tau3/2.0;
if (ix ==1 )
{
printf ("Current Spectral Width:\t\t%5.2f\n", swTilt);
printf ("Angle_H: %5.2f \n", angle_H);
printf ("Angle_C: %5.2f \n", angle_C);
printf ("Angle_N: %5.2f \n", angle_N);
printf ("\n\n\n\n\n");
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(d1);
rcvroff();
obsoffset(tofali); obspower(tpwr); obspwrf(4095.0);
decoffset(dof); decpower(pwClvl); decpwrf(rf0);
dec2offset(dof2); dec2power(pwNlvl); dec2pwrf(4095.0);
if (gt0 > 0.2e-6)
{
decrgpulse(pwC,zero,10.0e-6,0.0);
dec2rgpulse(pwN,zero,2.0e-6,2.0e-6);
zgradpulse(gzlvl0,gt0);
delay(gstab);
}
txphase(t1); decphase(t2); dec2phase(zero);
status(B);
rgpulse(pw,t1,4.0e-6,2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(2.0*tauCH - gt3 - 2.0*GRADIENT_DELAY -4.0e-6);
decrgpulse(pwC,t2,2.0e-6,2.0e-6);
decphase(zero);
/*======= Start of c13 evolution ==========*/
if ( ((tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6)> 0)
&& ((tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6)>0)
&& (codec[A] == 'y') )
{
decpower(copwr); decpwrf(copwrf);
decprgon(codecseq,1/codmf,cores);
decon();
delay(tau2 -PRG_START_DELAY - POWER_DELAY -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -PRG_STOP_DELAY - POWER_DELAY - pwN - 2.0*pwC/PI -2.0e-6);
decoff();
decprgoff();
}
else if ( (tau2 -pwN - 2.0*pwC/PI -2.0e-6) > 0)
{
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, t1, zero, zero, 0.0, 0.0);
delay(tau2 -pwN - 2.0*pwC/PI -2.0e-6);
}
else
{
delay(2.0*tau2);
decphase(t14);
delay(4.0e-6);
sim3pulse(2.0*pw, 2.0*pwC, 2.0*pwN, t1, t14, zero, 0.0, 0.0);
delay(4.0e-6);
}
decpower(pwClvl);
decpwrf(rf0);
decphase(zero);
/*======= End of c13 evolution ==========*/
decrgpulse(pwC,zero, 2.0e-6,2.0e-6);
txphase(zero);
delay(2.0*tauCH + tau1 - gt3 - 4.0*pwC
- gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl3,gt3);
delay(gstab);
decrgpulse(pwC,zero,0.0, 0.0);
decphase(one);
decrgpulse(2.0*pwC, one, 0.2e-6, 0.0);
decphase(zero);
decrgpulse(pwC, zero, 0.2e-6, 0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
/* ===========Beginning of NOE transfer ======= */
delay(mix - gt4 - gt5 - pwN -pwC - 2.0*gstab);
obsoffset(tof);
zgradpulse(gzlvl4,gt4);
delay(gstab);
decrgpulse(pwC, zero, 2.0e-6, 2.0e-6);
dec2rgpulse(pwN, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
/* H2O relaxes back to +z */
/* =========== End of NOE transfer ======= */
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl6,gt6);
delay(tauNH - gt6 - 4.0e-6 - 2.0*GRADIENT_DELAY);
sim3pulse(2.0*pw, 0.0, 2*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt6 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl6,gt6);
txphase(one);
delay(gstab);
rgpulse(pw,one,2.0e-6,2.0e-6);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6);
obspower(tpwr);
zgradpulse(gzlvl7,gt7);
dec2phase(t3);
decoffset(dofcaco); /* offset on 120ppm for CaCO decoupling */
decpwrf(rf200); /* fine power for stC200 */
delay(gstab);
dec2rgpulse(pwN,t3,2.0e-6,2.0e-6);
dec2phase(t4);
delay(tau3);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
decshaped_pulse("stC200", 1.0e-3, zero, 2.0e-6, 2.0e-6);
delay(tau3);
delay(gt1 +gstab +8.0e-6 - 1.0e-3 - 2.0*pw);
dec2rgpulse(2.0*pwN, t4, 2.0e-6, 2.0e-6);
dec2phase(t5);
zgradpulse(gzlvl1, gt1);
delay(gstab + WFG_START_DELAY + WFG_STOP_DELAY - 2.0*GRADIENT_DELAY);
sim3pulse(pw, 0.0, pwN, zero, zero, t5, 2.0e-6, 2.0e-6);
dec2phase(zero);
zgradpulse(gzlvl8, gt8);
delay(tauNH - gt8 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt8 - gstab -4.0e-6 - 2.0*GRADIENT_DELAY);
zgradpulse(gzlvl8, gt8);
txphase(one); dec2phase(one);
delay(gstab);
sim3pulse(pw, 0.0, pwN, one, zero, one, 2.0e-6, 2.0e-6);
txphase(zero); dec2phase(zero);
zgradpulse(gzlvl9, gt9);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -4.0e-6);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauNH - gt9 - 2.0*GRADIENT_DELAY -gstab -4.0e-6);
zgradpulse(gzlvl9, gt9);
delay(gstab);
rgpulse(pw, zero, 2.0e-6, 2.0e-6);
delay((gt1/10.0) +gstab -2.0e-6 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 2.0e-6, 2.0e-6);
zgradpulse(icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
delay(gstab);
status(C);
setreceiver(t11);
}
pulsesequence()
{
/* DECLARE VARIABLES */
char autocal[MAXSTR], /* auto-calibration flag */
fsat[MAXSTR],
fscuba[MAXSTR],
f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
c180_flg[MAXSTR],
codecseq[MAXSTR],
mess_flg[MAXSTR],
ch_shp1[MAXSTR], /* shape for the 1st purge CHIRP */
ch_shp2[MAXSTR], /* shape for the 2nd purge CHIRP */
chshpi[MAXSTR]; /* shape for the INEPT CHIRPs */
int phase, phase2,
t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
tau2, /* t2 delay */
ni2,
mix, /* mixing time in seconds */
pwC, /* PW90 for c nucleus @ pwClvl */
pwcodec, /* PW for C' nucleus @ dpwrco seduce dec */
tsatpwr, /* low level 1H trans.power for presat */
pwClvl, /* power level for 13C pulses on dec1 */
dpwrco, /* power level for C' seduce decoupling */
sw1, /* sweep width in f1 */
sw2, /* sweep width in f2 */
tofps, /* tof for presat */
dressed, /* decoupler resolution for seduce decoupling */
tpwrmess, /* power level for Messerlie purge */
dly_pg1, /* duration of first part of purge */
dly_wt,
taua1, /* Delay for the first purge CHIRP */
taua2, /* Delay for the second purge CHIRP */
pwchirp1, /* duration of the 1st purge CHIRP */
pwchirp2, /* duration of the 2nd purge CHIRP */
d_me1, /* time difference between
start of the sweep and the
excitation of the methyl region
automatically calculated by the program
necessary parameter diff (see below) */
d_me2, /* time difference between
start of the sweep and the
excitation of the methyl region
automatically calculated by the program
necessary parameter diff (see below) */
dchrp1, /* power for the 1st purge CHIRP pulse, only lower
limit is important (see above!) */
dchrp2, /* power for the 2nd purge CHIRP pulse, only lower
limit is important (see above!) */
dmfchp1, /* dmf (1/90) for the 1st purge CHIRP pulse
dmfchp1 = 1/time_step of chirp-pulse
[time_step = pwchirp1/no. of points in
the .DEC-shape] */
dmfchp2, /* dmf (1/90) for the 1st purge CHIRP pulse
dmfchp2 = 1/time_step of chirp-pulse
[time_step = pwchirp2/no. of points in
the .DEC-shape] */
dres_chp, /* dres for the chirp pulse
(must be set to 90, otherwise
timing errors! ) */
diff1, /* shift differences between
methyl region and start of sweep */
diff2, /* shift differences between
methyl region and start of sweep */
rate1, /* sweep rate of the 1st purge CHIRP pulse
frequency sweep/pwchirp1 */
rate2, /* sweep rate of the 2nd purge CHIRP pulse
frequency sweep/pwchirp2 */
dchrpi,
dmfchpi,
pwchirpi, /* INEPT CHIRP duration */
ratei,
diffi,
tauf,
d_mei,
compC, /* C-13 RF calibration parameters */
gt0,
gt1,
gt2,
gt3,
gt4,
gt5,
gt8,
gt9,
gt10,
gt11,
gstab,
gzlvl0,
gzlvl1,
gzlvl2,
gzlvl3,
gzlvl4,
gzlvl5,
gzlvl8,
gzlvl9,
gzlvl10,
gzlvl11;
/* variables commented out are already defined by the system */
/* LOAD VARIABLES */
getstr("autocal",autocal);
getstr("fsat",fsat);
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("fscuba",fscuba);
getstr("c180_flg",c180_flg);
getstr("mess_flg",mess_flg);
tofps = getval("tofps");
mix = getval("mix");
pwC = getval("pwC");
tpwr = getval("tpwr");
tsatpwr = getval("tsatpwr");
pwClvl = getval("pwClvl");
dpwr = getval("dpwr");
dpwr2 = getval("dpwr2");
phase = (int) ( getval("phase") + 0.5);
phase2 = (int) ( getval("phase2") + 0.5);
sw1 = getval("sw1");
sw2 = getval("sw2");
ni2 = getval("ni2");
tpwrmess = getval("tpwrmess");
dly_pg1 = getval("dly_pg1");
dly_wt = getval("dly_wt");
taua1 = getval("taua1");
taua2 = getval("taua2");
rate1 = getval("rate1");
rate2 = getval("rate2");
diff1 = getval("diff1");
diff2 = getval("diff2");
diffi = getval("diffi");
ratei = getval("ratei");
tauf = getval("tauf");
gt0 = getval("gt0");
gt1 = getval("gt1");
gt2 = getval("gt2");
gt3 = getval("gt3");
gt4 = getval("gt4");
gt5 = getval("gt5");
gt8 = getval("gt8");
gt9 = getval("gt9");
gt10 = getval("gt10");
gt11 = getval("gt11");
gstab = getval("gstab");
gzlvl0 = getval("gzlvl0");
gzlvl1 = getval("gzlvl1");
gzlvl2 = getval("gzlvl2");
gzlvl3 = getval("gzlvl3");
gzlvl4 = getval("gzlvl4");
gzlvl5 = getval("gzlvl5");
gzlvl8 = getval("gzlvl8");
gzlvl9 = getval("gzlvl9");
gzlvl10 = getval("gzlvl10");
gzlvl11 = getval("gzlvl11");
if(autocal[0]=='n')
{
getstr("codecseq",codecseq);
dressed = getval("dressed");
pwcodec = getval("pwcodec");
dpwrco = getval("dpwrco");
getstr("ch_shp1",ch_shp1);
getstr("ch_shp2",ch_shp2);
pwchirp1 = getval("pwchirp1");
pwchirp2 = getval("pwchirp2");
dchrp1 = getval("dchrp1");
dchrp2 = getval("dchrp2");
dmfchp1 = getval("dmfchp1");
dmfchp2 = getval("dmfchp2");
dres_chp = getval("dres_chp");
getstr("chshpi",chshpi);
dchrpi = getval("dchrpi");
dmfchpi = getval("dmfchpi");
pwchirpi = getval("pwchirpi");
}
else
{
strcpy(codecseq,"Psed_108p");
strcpy(ch_shp1,"Pwurst180_1");
strcpy(ch_shp2,"Pwurst180_2");
strcpy(chshpi,"Pwurst180i");
if (FIRST_FID)
{
compC = getval("compC");
codec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwC, pwClvl);
chirp1 = pbox(ch_shp1, CHIRP1, CHIRPps, dfrq, compC*pwC, pwClvl);
chirp2 = pbox(ch_shp2, CHIRP2, CHIRPps, dfrq, compC*pwC, pwClvl);
chirpi = pbox(chshpi, CHIRPi, CHIRPps, dfrq, compC*pwC, pwClvl);
}
dpwrco = codec.pwr; pwcodec = 1.0/codec.dmf; dressed = codec.dres;
dchrp1 = chirp1.pwr; dmfchp1 = chirp1.dmf;
pwchirp1 = chirp1.pw; dres_chp = chirp1.dres;
dchrp2 = chirp1.pwr; dmfchp2 = chirp2.dmf;
pwchirp2 = chirp2.pw;
dchrpi = chirpi.pwr; dmfchpi = chirpi.dmf;
pwchirpi = chirpi.pw;
}
/* LOAD PHASE TABLE */
settable(t1,8,phi1);
settable(t2,16,phi2);
settable(t4,16,rec);
settable(t5,4,phi5);
settable(t6,2,phi6);
settable(t7,4,phi7);
/* CHECK VALIDITY OF PARAMETER RANGES */
if((dm[A] == 'y' || dm[B] == 'y' ))
{
printf("incorrect dec1 decoupler flags! ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[B] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if( tsatpwr > 6 )
{
printf("TSATPWR too large !!! ");
psg_abort(1);
}
if( dpwr > 50 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( dpwrco > 50 )
{
printf("don't fry the probe, dpwrco too large! ");
psg_abort(1);
}
if( dpwr2 > 46 )
{
printf("don't fry the probe, DPWR2 too large! ");
psg_abort(1);
}
if( pw > 200.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwC > 200.0e-6 )
{
printf("dont fry the probe, pwC too high ! ");
psg_abort(1);
}
if( pwcodec < 300.0e-6 )
{
printf("dont fry the probe, pwcodec too high ! ");
psg_abort(1);
}
if ( tpwrmess > 56 )
{
printf("dont fry the probe, tpwrmess too high ! ");
psg_abort(1);
}
if ( dly_pg1 > 0.010)
{
printf("dont fry the probe, dly_pg1 too long ! ");
psg_abort(1);
}
if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3
|| gt3 > 15e-3 || gt4 > 15e-3
|| gt5 > 15e-3
|| gt8 > 15e-3
|| gt9 > 15e-3 || gt10 > 15e-3 || gt11 > 15e-3 )
{
printf("gti values < 15e-3\n");
psg_abort(1);
}
if( gzlvl3*gzlvl4 > 0.0 )
{
printf("gt3 and gt4 must be of opposite sign \n");
printf("for optimal water suppression\n");
psg_abort(1);
}
if( dchrp1 > 60 )
{
printf("don't fry the probe, dchrp1 too large! ");
psg_abort(1);
}
if( dchrp2 > 60 )
{
printf("don't fry the probe, dchrp2 too large! ");
psg_abort(1);
}
if( pwchirp1 > 10.e-03 )
{
printf("don't fry the probe, pwchirp1 too large! ");
psg_abort(1);
}
if( pwchirp2 > 10.e-03 )
{
printf("don't fry the probe, pwchirp2 too large! ");
psg_abort(1);
}
d_me1 = diff1/rate1 ;
d_me2 = diff2/rate2 ;
if( d_me1 > 10.e-03 )
{
printf("don't fry the probe, d_me1 too large \n");
printf(" (must be less than 10 msec)! ");
psg_abort(1);
}
if( d_me2 > 10.e-03 )
{
printf("don't fry the probe, d_me2 too large \n");
printf(" (must be less than 10 msec)! ");
psg_abort(1);
}
if( d_me1 > pwchirp1 )
{
printf("impossible; d_me1 > pwchirp1 ! ");
psg_abort(1);
}
if( d_me2 > pwchirp2 )
{
printf("impossible; d_me2 > pwchirp2 ! ");
psg_abort(1);
}
if( dchrpi > 60 )
{
printf("dont fry the probe, dchrpi too large\n");
psg_abort(1);
}
if(pwchirpi > 10.0e-3)
{
printf("don't fry the probe, pwchirpi too large! ");
psg_abort(1);
}
d_mei = diffi/ratei;
/* Phase incrementation for hypercomplex 2D data */
if (phase == 2)
tsadd(t1,1,4);
if (phase2 == 2)
tsadd(t2,1,4);
/* Set up f1180 tau1 = t1 */
tau1 = d2;
if(f1180[A] == 'y') {
tau1 += ( 1.0 / (2.0*sw1) - 4.0/PI*pw - 2.0e-6 );
}
else
tau1 = tau1 - 4.0/PI*pw - 2.0e-6;
if(tau1 < 0.2e-6) tau1 = 2.0e-7;
/* Set up f2180 tau2 = t2 */
tau2 = d3;
if(f2180[A] == 'y') {
tau2 += ( 1.0 / (2.0*sw2) - (4.0/PI)*pwC
- 2.0*pw - PRG_START_DELAY - PRG_STOP_DELAY
- 2.0*POWER_DELAY - 4.0e-6);
}
else tau2 = tau2 - ((4.0/PI)*pwC + 2.0*pw
+ PRG_START_DELAY + PRG_STOP_DELAY
+ 2.0*POWER_DELAY + 4.0e-6);
if(tau2 < 0.2e-6) tau2 = 4.0e-7;
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2 ;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2) {
tsadd(t1,2,4);
tsadd(t4,2,4);
}
if( ix == 1) d3_init = d3 ;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2) {
tsadd(t2,2,4);
tsadd(t4,2,4);
}
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
delay(5.0e-6);
obspower(tsatpwr); /* Set transmitter power for 1H presaturation */
decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */
delay(5.0e-6);
/* Presaturation Period */
if (mess_flg[A] == 'y') {
obsoffset(tofps);
obspower(tpwrmess);
txphase(zero);
rgpulse(dly_pg1,zero,2.0e-6,2.0e-6);
txphase(one);
rgpulse(dly_pg1/1.62,one,2.0e-6,2.0e-6);
obspower(tsatpwr);
}
if (fsat[0] == 'y')
{
obsoffset(tofps);
delay(2.0e-5);
rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
delay(2.0e-5);
if(fscuba[0] == 'y')
{
delay(2.2e-2);
rgpulse(pw,zero,2.0e-6,0.0);
rgpulse(2*pw,one,2.0e-6,0.0);
rgpulse(pw,zero,2.0e-6,0.0);
delay(2.2e-2);
}
}
else
{
delay(d1);
}
obspower(tpwr); /* Set transmitter power for hard 1H pulses */
obsoffset(tof);
decphase(zero);
/* Begin Pulses */
status(B);
rcvroff();
delay(10.0e-6);
rgpulse(pw,t6,4.0e-6,0.0); /* 90 deg 1H pulse */
txphase(zero); decphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(gstab);
delay(taua1 - gt8 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6
- PRG_START_DELAY - d_me1);
/* 1st purge CHIRP inversion on */
decpower(dchrp1); /* Set power for 1st purge CHIRP inversion */
delay(4.0e-6);
decprgon(ch_shp1,1.0/dmfchp1,dres_chp);
decon();
delay(d_me1);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirp1 - d_me1 - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl8,gt8);
delay(gstab);
delay(taua1 + 2*pw - (pwchirp1 - d_me1)
- PRG_STOP_DELAY - gt8 - gstab -2.0e-6);
rgpulse(pw,zero,0.0,0.0);
txphase(t7);
delay(2.0e-6);
zgradpulse(gzlvl9,gt9);
delay(2.0*gstab);
rgpulse(pw,t7,0.0,0.0); /* PHASE t7 = 2(x),2(-x)*/
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
decphase(zero); txphase(zero);
delay(taua2 - gt11 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - PRG_START_DELAY - d_me2);
/* Second chirp inversion on */
decpower(dchrp2); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(ch_shp2,1.0/dmfchp2,dres_chp);
decon();
delay(d_me2);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirp2 - d_me2 - 2*pw);
decoff();
decprgoff();
/* Second purge CHIRP off */
delay(2.0e-6);
zgradpulse(gzlvl11,gt11);
delay(gstab);
txphase(zero);
delay(taua2 + 2*pw - (pwchirp2 - d_me2)
- PRG_STOP_DELAY - gt11 - gstab -2.0e-6 );
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl10,gt10);
delay(2.0*gstab);
rgpulse(pw,t1,4.0e-6,0.0);
delay(tau1);
rgpulse(pw,zero,2.0e-6,0.0);
delay(mix - 10.0e-3);
delay(2.0e-6);
zgradpulse(gzlvl0,gt0);
decpower(pwClvl); /* Set power for hard pulses */
delay(4.0e-6);
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl1,gt1);
delay(2.0e-6);
decphase(zero);
delay(10.0e-3 - gt1 - gt0 - 8.0e-6);
rgpulse(pw,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
decphase(zero);
delay(tauf - gt2 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6
- PRG_START_DELAY - d_mei);
/* INEPT CHIRP inversion on */
decpower(dchrpi); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(chshpi,1.0/dmfchpi,dres_chp);
decon();
delay(d_mei);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirpi - d_mei - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl2,gt2);
delay(gstab);
txphase(one);
delay(tauf + 2*pw - (pwchirpi - d_mei)
- PRG_STOP_DELAY - gt2 - gstab -2.0e-6 );
rgpulse(pw,one,0.0,0.0);
txphase(zero); decphase(t2);
decpower(pwClvl); /* Set power for C13 hard pulse */
delay(2.0e-6);
zgradpulse(gzlvl3,gt3);
delay(200.0e-6);
decrgpulse(pwC,t2,0.0,0.0);
decphase(zero);
if( c180_flg[A] == 'n' ) {
delay(2.0e-6);
/* CO decoupling on */
decpower(dpwrco);
decprgon(codecseq,pwcodec,dressed);
decon();
/* CO decoupling on */
delay(tau2);
rgpulse(2*pw,zero,0.0,0.0);
delay(tau2);
/* CO decoupling off */
decoff();
decprgoff();
decpower(pwClvl);
/* CO decoupling off */
delay(2.0e-6);
}
else
simpulse(2*pw,2*pwC,zero,zero,2.0e-6,2.0e-6);
decrgpulse(pwC,zero,0.0,0.0);
delay(2.0e-6);
zgradpulse(gzlvl4,gt4);
delay(200.0e-6);
rgpulse(pw,t5,2.0e-6,0.0);
txphase(zero);
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decphase(zero);
delay(tauf - gt5 - gstab -2.0e-6 - POWER_DELAY
- 4.0e-6 - PRG_START_DELAY - d_mei);
/* 2nd INEPT CHIRP inversion on */
decpower(dchrpi); /* Set power for chirp inversion */
delay(4.0e-6);
decprgon(chshpi,1.0/dmfchpi,dres_chp);
decon();
delay(d_mei);
rgpulse(2*pw,zero,0.0,0.0); /* 1H inversion pulse */
delay(pwchirpi - d_mei - 2*pw);
decoff();
decprgoff();
/* chirp inversion off */
delay(2.0e-6);
zgradpulse(gzlvl5,gt5);
delay(gstab);
decpower(dpwr); /* Set power for decoupling */
txphase(t5);
delay(tauf + 2*pw - (pwchirpi - d_mei) - PRG_STOP_DELAY
- gt5 - gstab -2.0e-6 - 2*POWER_DELAY);
rgpulse(pw,t5,0.0,0.0);
/* BEGIN ACQUISITION */
status(C);
setreceiver(t4);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */
SCT[MAXSTR], /* Semi-constant time flag for N-15 evolution */
CT_c[MAXSTR], /* Constant time flag for C-13 evolution */
TROSY[MAXSTR]; /* do TROSY on N15 and H1 */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
PRexp, /* projection-reconstruction flag */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
tauC = getval("tauC"), /* delay for CO to Ca evolution */
timeTN = getval("timeTN"), /* constant time for 15N evolution */
timeTC = getval("timeTC"), /* constant time for 13C evolution */
t2a=0.0, t2b=0.0, halfT2=0.0, CTdelay=0.0,
kappa = 5.4e-3,
lambda = 2.4e-3,
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* 90 degree pulse at Ca (56ppm), first off-resonance null at CO (174ppm) */
pwC1, /* 90 degree pulse length on C13 at rf1 */
rf1, /* fine power for 4.7 kHz rf for 600MHz magnet */
/* 180 degree pulse at Ca (56ppm), first off-resonance null at CO(174ppm) */
pwC2, /* 180 degree pulse length at rf2 */
rf2, /* fine power for 10.5 kHz rf for 600MHz magnet */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "proteincal". SLP pulse shapes, "offC6" etc are called */
/* directly from your shapelib. */
pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */
pwC6 = getval("pwC6"), /* 90 degree selective sinc pulse on CO(174ppm) */
pwC8 = getval("pwC8"), /* 180 degree selective sinc pulse on CO(174ppm) */
pwC9 = getval("pwC9"), /* 180 degree selective sinc pulse on CO(174ppm) */
phshift9, /* phase shift induced on Ca by pwC9 ("offC9") pulse */
pwZ, /* the largest of pwC9 and 2.0*pwN */
pwZ1, /* the larger of pwC8 and 2.0*pwN for 1D experiments */
rf3, /* fine power for the pwC3 ("offC3") pulse */
rf6, /* fine power for the pwC6 ("offC6") pulse */
rf8, /* fine power for the pwC8 ("offC8") pulse */
rf9, /* fine power for the pwC9 ("offC9") pulse */
dofCO, /* channel 2 offset for most CO pulses */
compH = getval("compH"), /* adjustment for C13 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
csa, sna,
pra = M_PI*getval("pra")/180.0,
pwHd, /* H1 90 degree pulse length at tpwrd */
tpwrd, /* rf for WALTZ decoupling */
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt7 = getval("gt7"),
gt9 = getval("gt9"),
gt10 = getval("gt10"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7"),
gzlvl8 = getval("gzlvl8"),
gzlvl9 = getval("gzlvl9"),
gzlvl10 = getval("gzlvl10");
getstr("f1180",f1180);
getstr("f2180",f2180);
getstr("mag_flg",mag_flg);
getstr("SCT",SCT);
getstr("CT_c",CT_c);
getstr("TROSY",TROSY);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t4,1,phx);
settable(t5,4,phi5);
if (TROSY[A]=='y')
{settable(t8,1,phy);
settable(t9,1,phx);
settable(t10,1,phy);
settable(t11,1,phx);
settable(t12,4,recT);}
else
{settable(t8,1,phx);
settable(t9,8,phi9);
settable(t10,1,phx);
settable(t11,1,phy);
settable(t12,4,rec);}
/* INITIALIZE VARIABLES */
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* offset during CO pulses, except for t1 evolution period */
dofCO = dof + 118.0*dfrq;
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 90 degree pulse on Ca, null at CO 118ppm away */
pwC1 = sqrt(15.0)/(4.0*118.0*dfrq);
rf1 = 4095.0*(compC*pwC)/pwC1;
rf1 = (int) (rf1 + 0.5);
/* 180 degree pulse on Ca, null at CO 118ppm away */
pwC2 = sqrt(3.0)/(2.0*118.0*dfrq);
rf2 = (compC*4095.0*pwC*2.0)/pwC2;
rf2 = (int) (rf2 + 0.5);
if( rf2 > 4095.0 )
{ printf("increase pwClvl so that C13 90 < 24us*(600/sfrq)"); psg_abort(1);}
/* 180 degree pulse on Ca, null at CO 118ppm away */
rf3 = (compC*4095.0*pwC*2.0)/pwC3;
rf3 = (int) (rf3 + 0.5);
/* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */
rf6 = (int) (rf6 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf8 = (int) (rf8 + 0.5); /* power than a square pulse */
/* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */
rf9 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */
rf9 = (int) (rf9 + 0.5); /* power than a square pulse */
/* the pwC9 pulse at the middle of t1 */
if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0;
if (pwC8 > 2.0*pwN) pwZ = pwC8; else pwZ = 2.0*pwN;
if ((pwC9==0.0) && (pwC8>2.0*pwN)) pwZ1=pwC8-2.0*pwN; else pwZ1=0.0;
if ( ni > 1 ) pwC9 = pwC8;
if ( pwC9 > 0 ) phshift9 = 140.0;
else phshift9 = 0.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1) ; /* 7.5 kHz rf */
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* set up Projection-Reconstruction experiment */
tau1 = d2; tau2 = d3;
PRexp=0; csa = 1.0; sna = 0.0;
if((pra > 0.0) && (pra < 90.0)) /* PR experiments */
{
PRexp = 1;
csa = cos(pra);
sna = sin(pra);
tau1 = d2*csa;
tau2 = d2*sna;
}
/* CHECK VALIDITY OF PARAMETER RANGES */
if(SCT[A] == 'n')
{
if (PRexp)
{
if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY)
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);}
}
else
{
if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY)
{ printf(" ni2 is too big. Make ni2 equal to %d or less.\n",
((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);}
}
}
if(CT_c[A] == 'y')
{
if ( 0.5*ni*csa/sw1 > timeTC)
{ printf(" ni is too big. Make ni less than %d or less.\n",
((int)(timeTC*2.0*sw1/csa - 4e-6 - SAPS_DELAY))); psg_abort(1);}
}
if ( tauC < (gt7+1.0e-4+0.5*10.933*pwC)) gt7=(tauC-1.0e-4-0.5*10.933*pwC);
if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )
{ printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);}
if ( dm2[A] == 'y' || dm2[B] == 'y' )
{ printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);}
if ( dm3[A] == 'y' || dm3[C] == 'y' )
{ printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);}
if ( dpwr2 > 50 )
{ printf("dpwr2 too large! recheck value "); psg_abort(1);}
if ( pw > 20.0e-6 )
{ printf(" pw too long ! recheck value "); psg_abort(1);}
if ( pwN > 100.0e-6 )
{ printf(" pwN too long! recheck value "); psg_abort(1);}
if ( TROSY[A]=='y' && dm2[C] == 'y')
{ text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2) tsadd(t3,1,4);
if (TROSY[A]=='y')
{ if (phase2 == 2) icosel = +1;
else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;}
}
else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;}
else icosel = -1;
}
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t12,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t8,2,4); tsadd(t12,2,4); }
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
halfT2 = 0.0;
CTdelay = timeTN + pwC8 + WFG_START_DELAY - SAPS_DELAY;
if(ni>1)
{
if(f1180[A] == 'y') /* Set up f1180 */
tau1 += 0.5*csa/sw1; /* if not PRexp then csa = 1.0 */
if(PRexp)
{
halfT2 = 0.5*(ni-1)/sw1; /* ni2 is not defined */
if(f1180[A] == 'y')
{ tau2 += 0.5*sna/sw1; halfT2 += 0.25*sna/sw1; }
t2b = (double) t1_counter*((halfT2 - CTdelay)/((double)(ni-1)));
}
}
if (ni2>1)
{
halfT2 = 0.5*(ni2-1)/sw2;
if(f2180[A] == 'y') /* Set up f2180 */
{ tau2 += 0.5/sw2; halfT2 += 0.25/sw2; }
t2b = (double) t2_counter*((halfT2 - CTdelay)/((double)(ni2-1)));
}
tau1 = tau1/2.0;
tau2 = tau2/2.0;
if(tau1 < 0.2e-6) tau1 = 0.0;
if(tau2 < 0.2e-6) tau2 = 0.0;
if(t2b < 0.0) t2b = 0.0;
t2a = CTdelay - tau2 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
/* uncomment these lines to check t2a and t2b
printf("%d: t2a = %.12f", t2_counter,t2a);
printf(" ; t2b = %.12f\n", t2b);
*/
/* BEGIN PULSE SEQUENCE */
status(A);
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
decoffset(dofCO);
txphase(zero);
delay(1.0e-5);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-gzlvl0, 0.5e-3);
delay(1.0e-4);
if (TROSY[A] == 'n')
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(-0.7*gzlvl0, 0.5e-3);
delay(5.0e-4);
rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
if (TROSY[A]=='y')
{txphase(two);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
delay(0.5*kappa - 2.0*pw);
rgpulse(2.0*pw, two, 0.0, 0.0);
obspower(tpwrd); /* POWER_DELAY */
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN -0.5*kappa - POWER_DELAY - WFG3_START_DELAY);
}
else
{txphase(zero);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc",pwHs,zero,5.0e-4,0.0);
obspower(tpwrd); obspwrf(4095.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
dec2rgpulse(pwN, zero, 0.0, 0.0);
txphase(one);
delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY);
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */
xmtron();
decphase(zero);
dec2phase(zero);
decpwrf(rf8);
delay(timeTN - kappa - WFG3_START_DELAY);
}
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
decphase(zero);
decpwrf(rf6);
delay(timeTN);
dec2rgpulse(pwN, zero, 0.0, 0.0);
if (TROSY[A]=='n')
{xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);}
zgradpulse(-gzlvl3, gt3);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(-gzlvl7, gt7);
decpwrf(rf6);
decphase(one);
txphase(one);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
decoffset(dof);
zgradpulse(-gzlvl9, gt9);
decpwrf(rf1);
decphase(t3);
delay(2.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
decrgpulse(pwC1, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxxxxxx 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */
if (ni==1.0) /* special 1D check of pwC9 phase enabled when ni=1 */
{
decpwrf(rf9);
delay(10.0e-6 + SAPS_DELAY + 0.5*pwZ1);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC9", "", 0.0, pwC9, 2.0*pwN, zero, zero, zero,
2.0e-6, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(10.0e-6 + WFG3_START_DELAY + 0.5*pwZ1);
}
else if(CT_c[A] == 'y') /* xxxxxxx 13Ca Constant Time EVOLUTION xxxxxxxx */
{
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG_START_DELAY -POWER_DELAY > 0.0) {
delay(tau1 -2.0*pwC1/PI -POWER_DELAY -WFG_START_DELAY);
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
}
else
sim3shaped_pulse("","offC9","",0.0,pwC8, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeTC- 2.0e-6 -WFG_STOP_DELAY-POWER_DELAY);
decpwrf(rf2);
decrgpulse(pwC2, zero, 2.0e-6, 2.0e-6); /* 13Ca 180 degree pulse */
delay(timeTC-tau1- 4.0e-6 -SAPS_DELAY);
phshift9 = 230.0; /* = 320-90 - correction for -90 degree phase shift in F1 */
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
}
else /* xxxxxxx 13Ca Conventional EVOLUTION xxxxxxxxx */
{
if ((ni>1.0) && (tau1>0.0)) /* total 13C evolution equals d2 exactly */
{ /* 2.0*pwC1/PI compensates for evolution at 64% rate during pwC1 */
decpwrf(rf9);
if(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ > 0.0)
{
delay(tau1 - 2.0*pwC1/PI - WFG3_START_DELAY - 0.5*pwZ);
sim3shaped_pulse("", "offC9", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero,
0.0, 0.0);
initval(phshift9, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(tau1 - 2.0*pwC1/PI - SAPS_DELAY - 0.5*pwZ - 2.0e-6);
}
else
{
initval(180.0, v9);
decstepsize(1.0);
dcplrphase(v9); /* SAPS_DELAY */
delay(2.0*tau1 - 4.0*pwC1/PI - SAPS_DELAY - 2.0e-6);
}
}
else /* 13Ca evolution refocused for 1st increment */
{
decpwrf(rf2);
delay(10.0e-6);
decrgpulse(pwC2, zero, 2.0e-6, 0.0);
delay(10.0e-6);
}
}
decphase(t5);
decpwrf(rf1);
decrgpulse(pwC1, t5, 2.0e-6, 0.0);
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
xmtroff();
obsprgoff();
rgpulse(pwHd,three,2.0e-6,0.0);
decoffset(dofCO);
decpwrf(rf6);
decphase(one);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
zgradpulse(gzlvl10, gt10);
delay(2.0e-4);
decshaped_pulse("offC6", pwC6, one, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf0);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC);
decrgpulse(pwC*158.0/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*171.2/90.0, two, 0.0, 0.0);
decrgpulse(pwC*342.8/90.0, zero, 0.0, 0.0); /* Shaka 6 composite */
decrgpulse(pwC*145.5/90.0, two, 0.0, 0.0);
decrgpulse(pwC*81.2/90.0, zero, 0.0, 0.0);
decrgpulse(pwC*85.3/90.0, two, 0.0, 0.0);
zgradpulse(gzlvl8, gt7);
decpwrf(rf6);
decphase(zero);
delay(tauC - gt7 - 0.5*10.933*pwC - WFG_START_DELAY);
/* WFG_START_DELAY */
decshaped_pulse("offC6", pwC6, zero, 0.0, 0.0);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
zgradpulse(gzlvl4, gt4);
txphase(one);
decphase(zero);
decpwrf(rf8);
dcplrphase(zero);
dec2phase(t8);
delay(2.0e-4);
if (TROSY[A]=='n')
{rgpulse(pwHd,one,0.0,0.0);
txphase(zero);
delay(2.0e-6);
obsprgon("waltz16", pwHd, 90.0);
xmtron();}
dec2rgpulse(pwN, t8, 0.0, 0.0); /* N15 EVOLUTION BEGINS HERE */
dec2phase(t9);
if(SCT[A] == 'y')
{
delay(t2a);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
delay(t2b);
decshaped_pulse("offC8", pwC8, zero, 0.0, 0.0); /* WFG_START_DELAY */
}
else
{
delay(timeTN - WFG3_START_DELAY - tau2); /* WFG3_START_DELAY */
sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9,
0.0, 0.0);
}
dec2phase(t10);
decpwrf(rf3);
if (TROSY[A]=='y')
{ if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.5e-4 + pwHs)
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else if (tau2 > pwHs + 0.5e-4)
{
txphase(three);
delay(timeTN-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - pwHs - 0.5e-4);
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
}
else
{
txphase(three);
delay(timeTN - pwC3 - WFG_START_DELAY - gt1 - 2.0*GRADIENT_DELAY
- 1.5e-4 - pwHs);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwrs); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
if (tpwrsf < 4095.0)
{obspwrf(tpwrsf);
obspower(tpwrs+6.0);} /* increases tpwrs by 6dB, now need */
else
obspower(tpwrs);
/* tpwrsf to be ~ 2048 for equivalence */
shaped_pulse("H2Osinc", pwHs, three, 0.0, 0.0);
obspower(tpwr); obspwrf(4095.0);
txphase(t4);
delay(0.5e-4 - POWER_DELAY);
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
else
{
if (tau2 > kappa)
{
delay(timeTN - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > (kappa - pwC3 - WFG_START_DELAY))
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(kappa -pwC3 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4)
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa - tau2 - pwC3 - WFG_START_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY);
}
else
{
delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6);
xmtroff();
obsprgoff(); /* PRG_STOP_DELAY */
rgpulse(pwHd,three,2.0e-6,0.0);
txphase(t4);
delay(kappa-tau2-pwC3-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4);
if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1);
else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */
obspower(tpwr); /* POWER_DELAY */
delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */
decshaped_pulse("offC3", pwC3, zero, 0.0, 0.0);
delay(tau2);
}
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0);
else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5);
else delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(t11);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(gzlvl6, gt5);
delay(lambda - 1.3*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
dec2phase(t10);
zgradpulse(gzlvl6, gt5);
if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5);
else delay(lambda - 0.65*pwN - gt5);
if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0);
else rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0,rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */
delay(gstab);
rcvron();
statusdelay(C,1.0e-4 - rof1);
if (dm3[B]=='y') lk_sample();
setreceiver(t12);
}
pulsesequence()
{
int t1_counter;
char CCLS[MAXSTR], /* C13 refocussing pulse in middle of t1 */
wtg3919[MAXSTR],
f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */
double timeCT=getval("timeCT"),
tauxh, tau1,
gzlvl3=getval("gzlvl3"),
gzlvl4=getval("gzlvl4"),
gt3=getval("gt3"),
gt4=getval("gt4"),
gstab=getval("gstab"), /* gradient recovery delay */
JNH = getval("JNH"),
pwN = getval("pwN"),
pwNlvl = getval("pwNlvl"),
pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */
sw1 = getval("sw1"),
/* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"); /* C13 90 degree pulse length at pwClvl */
getstr("CCLS",CCLS);
getstr("wtg3919",wtg3919);
getstr("f1180",f1180);
/* check validity of parameter range */
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y') )
{ text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); }
/* INITIALIZE VARIABLES */
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
pwHs = getval("pwHs");
compH = getval("compH");
}
else
pwHs = pw*2.385+7.0*rof1+d3*2.5;
tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3);
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */
{ /* times more power than a square pulse */
if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69));
else tpwrs = 0.0;
tpwrs = (int) (tpwrs);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
if(wtg3919[0] != 'y')
H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr);
}
if (wtg3919[0] != 'y')
{ pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; } /* 1dB correction applied */
}
/* LOAD VARIABLES */
if(ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* LOAD PHASE TABLES */
assign(one,v7);
assign(three,v8);
settable(t1, 4, phi1);
settable(t2, 2, phi2);
settable(t3, 8, phi3);
settable(t4, 16, phi4);
settable(t5, 8, rec);
if ( phase1 == 2 ) tsadd(t2, 1, 4);
if(t1_counter %2) /* calculate modification to phases based on */
{ tsadd(t2,2,4); tsadd(t5,2,4); } /* current t1 values */
if(wtg3919[0] != 'y')
{ add(one,v7,v7); add(one,v8,v8); }
/* sequence starts!! */
status(A);
obspower(tpwr);
dec2power(pwNlvl);
decpower(pwClvl); decpwrf(4095.0);
delay(d1);
status(B);
rgpulse(pw, zero, rof1, rof1);
zgradpulse(0.3*gzlvl3,gt3);
txphase(zero);
dec2phase(zero);
delay(tauxh-gt3); /* delay=1/4J(XH) */
sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1);
zgradpulse(0.3*gzlvl3,gt3);
dec2phase(t2);
delay(tauxh-gt3 ); /* delay=1/4J(XH) */
rgpulse(pw, t1, rof1, rof1);
decphase(zero);
txphase(t4);
zgradpulse(gzlvl3,gt3);
delay(gstab);
dec2rgpulse(pwN, t2, rof1, rof1);
/* CT EVOLUTION BEGINS */
dec2phase(t3);
delay(timeCT -SAPS_DELAY -tau1);
if (CCLS[A]=='y')
{
sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
delay(timeCT -2.0*pw);
rgpulse(2.0*pw, t4, 0.0, 0.0);
}
else
{
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
delay(timeCT -2.0*pwC);
simpulse(2.0*pw, 2.0*pwC, t4, zero, 0.0, 0.0);
}
delay(tau1);
/* CT EVOLUTION ENDS */
dec2rgpulse(pwN, t3, rof1, rof1);
zgradpulse(gzlvl3,gt3);
delay(gstab);
rgpulse(pw, two, rof1, rof1);
decrgpulse(pwC, zero, rof1, rof1);
zgradpulse(gzlvl4,gt4);
txphase(v7); dec2phase(zero);
delay(tauxh -gt4 -pwHs -rof1 -2.0*pwC -2.0*rof1);
if(wtg3919[0] == 'y')
{
rgpulse(pw*0.231,v7,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v7,rof1,rof1);
delay(d3);
rgpulse(pw*1.462,v7,rof1,rof1);
delay(d3/2-pwN);
dec2rgpulse(2*pwN, zero, rof1, rof1);
txphase(v8);
delay(d3/2-pwN);
rgpulse(pw*1.462,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.692,v8,rof1,rof1);
delay(d3);
rgpulse(pw*0.231,v8,rof1,rof1);
}
else
{
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0);
obspower(tpwr);
}
zgradpulse(gzlvl4,gt4);
delay(tauxh -gt4 -pwHs -rof1 -POWER_DELAY);
dec2power(dpwr2);
status(C);
setreceiver(t5);
}
pulsesequence()
{
double slpwrT = getval("slpwrT"),
slpwT = getval("slpwT"),
mixT = getval("mixT"),
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvl2 = getval("gzlvl2"),
gt2 = getval("gt2"),
gstab = getval("gstab"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
selfrq = getval("selfrq"),
zqfpw1 = getval("zqfpw1"),
zqfpwr1 = getval("zqfpwr1"),
zqfpw2 = getval("zqfpw2"),
zqfpwr2 = getval("zqfpwr2"),
gzlvlzq1 = getval("gzlvlzq1"),
gzlvlzq2 = getval("gzlvlzq2");
char slpatT[MAXSTR],
selshapeA[MAXSTR],
selshapeB[MAXSTR],
zqfpat1[MAXSTR],
zqfpat2[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtA = syncGradTime("gtA","gzlvlA",1.0);
gzlvlA = syncGradLvl("gtA","gzlvlA",1.0);
gtB = syncGradTime("gtB","gzlvlB",1.0);
gzlvlB = syncGradLvl("gtB","gzlvlB",1.0);
getstr("slpatT",slpatT);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
getstr("zqfpat1",zqfpat1);
getstr("zqfpat2",zqfpat2);
if (strcmp(slpatT,"mlev17c") &&
strcmp(slpatT,"dipsi2") &&
strcmp(slpatT,"dipsi3") &&
strcmp(slpatT,"mlev17") &&
strcmp(slpatT,"mlev16"))
abort_message("SpinLock pattern %s not supported!.\n", slpatT);
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR) or off of CT */
ifzero(ssctr);
assign(ct,v13);
elsenz(ssctr);
sub(ssval, ssctr, v13); /* v13 = 0,...,ss-1 */
endif(ssctr);
mod4(v13,v1); /* v1 = 0 1 2 3 */
hlv(v13,v13);
hlv(v13,v13);
mod4(v13,v11); /* v11 = 0000 1111 2222 3333 */
dbl(v1,oph);
add(v11,oph,oph);
add(v11,oph,oph); /* oph = 2v1 + 2v11 */
/* CYCLOPS */
hlv(v13,v13);
hlv(v13,v14);
add(v1,v14,v1);
add(v11,v14,v11);
add(oph,v14,oph);
assign(v14,v3);
add(one,v3,v3);
add(two,v3,v12);
sub(v3,one,v2);
add(v3,one,v4);
add(v3,two,v5);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,v6,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
rgpulse(pw, v14, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
zgradpulse(gzlvlA,gtA);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v1,rof1,rof1);
obspower(tpwr);
zgradpulse(gzlvlA,gtA);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
zgradpulse(gzlvlB,gtB);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v11,rof1,rof1);
obspower(tpwr);
zgradpulse(gzlvlB,gtB);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
rgpulse(pw, v14, rof1, rof1);
if (getflag("Gzqfilt"))
{
obspower(zqfpwr1);
rgradient('z',gzlvlzq1);
delay(100.0e-6);
shaped_pulse(zqfpat1,zqfpw1,v14,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
}
obspower(slpwrT);
zgradpulse(gzlvl1,gt1);
delay(gstab);
if (mixT > 0.0)
{
if (dps_flag)
rgpulse(mixT,v3,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v2,v3,v4,v5, v9);
}
if (getflag("Gzqfilt"))
{
obspower(zqfpwr2);
rgradient('z',gzlvlzq2);
delay(100.0e-6);
shaped_pulse(zqfpat2,zqfpw2,v14,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
}
obspower(tpwr);
zgradpulse(gzlvl2,gt2);
delay(gstab);
rgpulse(pw,v14,rof1,rof2);
status(C);
}
pulsesequence()
{
double gtE = getval("gtE"),
gzlvlE=getval("gzlvlE"),
selpwrPS = getval("selpwrPS"),
selpwPS = getval("selpwPS"),
gzlvlPS = getval("gzlvlPS"),
droppts=getval("droppts"),
gstab = getval("gstab");
int prgcycle=(int)(getval("prgcycle")+0.5);
char selshapePS[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",1.0);
gzlvlE = syncGradLvl("gtE","gzlvlE",1.0);
getstr("selshapePS",selshapePS);
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && (satmode[0] == 'y') && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1,4,ph1);
settable(t2,32,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
getelem(t1,v17,v1);
getelem(t2,v17,v2);
getelem(t3,v17,v3);
getelem(t4,v17,v4);
assign(v4,oph);
assign(v1,v6);
add(oph,v18,oph);
add(oph,v19,oph);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,v6);
if (getflag("prgflg"))
shaped_purge(v1,v6,v18,v19);
}
else
{
satpulse(satdly,v6,rof1,rof1);
if (getflag("prgflg"))
purge(v1,v6,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
obspower(tpwr);
rgpulse(pw, v1, rof1, rof2);
delay(d2/2.0);
delay((0.25/sw1) - gtE - gstab - 2*pw/PI - rof2 - 2*GRADIENT_DELAY);
zgradpulse(gzlvlE,gtE);
delay(gstab);
rgpulse(2*pw,v2,rof1,rof1);
delay(0.25/sw1);
delay(gstab);
zgradpulse(-1.0*gzlvlE,gtE);
delay(gstab);
obspower(selpwrPS);
rgradient('z',gzlvlPS);
shaped_pulse(selshapePS,selpwPS,v3,rof1,rof1);
rgradient('z',0.0);
obspower(tpwr);
delay(gstab);
zgradpulse(-2.0*gzlvlE,gtE);
delay(gstab - droppts/sw);
delay(d2/2.0);
status(C);
}
void pulsesequence()
{
double slpwrR = getval("slpwrR"),
slpwR = getval("slpwR"),
mixR = getval("mixR"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
gstab = getval("gstab"),
selfrq = getval("selfrq"),
gzlvl1 = getval("gzlvl1"),
gt1 = getval("gt1"),
gzlvl2 = getval("gzlvl2"),
gt2 = getval("gt2"),
zqfpw1 = getval("zqfpw1"),
zqfpwr1 = getval("zqfpwr1"),
gzlvlzq1 = getval("gzlvlzq1"),
phincr1 = getval("phincr1");
char selshapeA[MAXSTR],selshapeB[MAXSTR], slpatR[MAXSTR],
zqfpat1[MAXSTR], alt_grd[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtA = syncGradTime("gtA","gzlvlA",1.0);
gzlvlA = syncGradLvl("gtA","gzlvlA",1.0);
gtB = syncGradTime("gtB","gzlvlB",1.0);
gzlvlB = syncGradLvl("gtB","gzlvlB",1.0);
getstr("slpatR",slpatR);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
getstr("zqfpat1",zqfpat1);
getstr("alt_grd",alt_grd);
if (strcmp(slpatR,"cw") &&
strcmp(slpatR,"troesy") &&
strcmp(slpatR,"dante"))
abort_message("SpinLock pattern %s not supported!.\n", slpatR);
/* STEADY-STATE PHASECYCLING */
/* This section determines if the phase calculations trigger off of (SS - SSCTR) or off of CT */
assign(ct,v17);
ifzero(ssctr);
assign(v17,v13);
elsenz(ssctr);
/* purge option does not adjust v13 during steady state */
sub(ssval, ssctr, v13);
endif(ssctr);
/* Beginning phase cycling */
dbl(v13,v1); /* v1 = 0 2 */
hlv(v13,v13);
dbl(v13,v20); /* v20 = 00 22 */
hlv(v13,v13);
dbl(v13,v6); /* v6 = 0000 2222 */
hlv(v13,v13);
dbl(v13,v7); /* v7 = 00000000 22222222 */
assign(v1,oph);
if (getflag("Gzqfilt"))
add(v7,oph,oph);
/* CYCLOPS */
assign(v13,v14); /* v14 = 8x0 8x1 8x2 8x3 */
if (getflag("Gzqfilt"))
hlv(v13,v14); /* v14 = 16x0 16x1 16x2 16x3 */
add(v1,v14,v1);
add(v20,v14,v20);
add(v6,v14,v6);
add(v7,v14,v7);
add(oph,v14,oph);
/* add(oph,v18,oph);
add(oph,v19,oph); */
assign(zero,v9);
mod2(ct,v2); /* 01 01 */
hlv(ct,v11); hlv(v11,v11); mod2(v11,v11); dbl(v11,v11); /* 0000 2222 */
add(v11,v2,v11); mod4(v11,v11); /* 0101 2323 first echo in Excitation Sculpting */
hlv(ct,v4); mod2(v4,v4); /* 0011 */
hlv(ct,v12); hlv(v12,v12); hlv(v12,v12); dbl(v12,v12); add(v12,v4,v12);
mod4(v12,v12); /* 0011 0011 2233 2233 second echo in Excitation Sculpting */
dbl(v2,v2); /* 0202 */
dbl(v4,v4); /* 0022 */
add(v2,v4,v4); /* 0220 correct oph for Excitation Sculpting */
add(oph,v4,oph); mod4(oph,oph);
if (!strcmp(slpatR,"troesy"))
assign(v20,v21);
else
add(v20,one,v21);
if (alt_grd[0] == 'y') mod2(ct,v8); /* alternate gradient sign on even scans */
/* The following is for flipback pulse */
if (phincr1 < 0.0) phincr1=360+phincr1;
initval(phincr1,v5);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
if (getflag("lkgate_flg")) lk_sample(); /* turn lock sampling on */
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
delay(d1);
if (getflag("lkgate_flg")) lk_hold(); /* turn lock sampling off */
status(B);
if (getflag("cpmgflg"))
{
rgpulse(pw, v1, rof1, 0.0);
cpmg(v1, v15);
}
else
rgpulse(pw, v1, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
ifzero(v8); zgradpulse(gzlvlA,gtA);
elsenz(v8); zgradpulse(-gzlvlA,gtA); endif(v8);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v14,rof1,rof1);
obspower(tpwr);
ifzero(v8); zgradpulse(gzlvlA,gtA);
elsenz(v8); zgradpulse(-gzlvlA,gtA); endif(v8);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
ifzero(v8); zgradpulse(gzlvlB,gtB);
elsenz(v8); zgradpulse(-gzlvlB,gtB); endif(v8);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v6,rof1,rof1);
obspower(slpwrR);
ifzero(v8); zgradpulse(gzlvlB,gtB);
elsenz(v8); zgradpulse(-gzlvlB,gtB); endif(v8);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
if (mixR > 0.0)
{
if (dps_flag)
rgpulse(mixR,v21,0.0,0.0);
else
SpinLock(slpatR,mixR,slpwR,v21);
}
if (getflag("Gzqfilt"))
{
obspower(tpwr);
rgpulse(pw,v7,rof1,rof1);
ifzero(v8); zgradpulse(gzlvl1,gt1);
elsenz(v8); zgradpulse(-gzlvl1,gt1); endif(v8);
delay(gstab);
obspower(zqfpwr1);
ifzero(v8); rgradient('z',gzlvlzq1);
elsenz(v8); rgradient('z',-gzlvlzq1); endif(v8);
delay(100.0e-6);
shaped_pulse(zqfpat1,zqfpw1,zero,rof1,rof1);
delay(100.0e-6);
rgradient('z',0.0);
delay(gstab);
ifzero(v8); zgradpulse(-gzlvl2,gt2);
elsenz(v8); zgradpulse(gzlvl2,gt2); endif(v8);
obspower(tpwr);
delay(gstab);
if (getflag("flipback"))
FlipBack(v14,v5);
rgpulse(pw,v14,rof1,2.0e-6);
}
ExcitationSculpting(v11,v12,v8);
delay(rof2);
status(C);
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
imino[MAXSTR], amino[MAXSTR],
mag_flg[MAXSTR], /*magic-angle coherence transfer gradients */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/
NH2only[MAXSTR]; /* spectrum of only NH2 groups */
int icosel, /* used to get n and p type */
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
mix = getval("mix"), /* NOESY mix time */
tau2, /* t2 delay */
lambda = 0.94/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */
tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */
/* the sech/tanh pulse is automatically calculated by the macro "proteincal", */ /* and is called directly from your shapelib. */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
rfst, /* fine power for the stCall pulse */
compH = getval("compH"), /* adjustment for H1 amplifier compression */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */
tpwrs, /* power for the pwHs ("H2Osinc") pulse */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gzcal=getval("gzcal"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gzlvl0 = getval("gzlvl0"),
gzlvl3 = getval("gzlvl3"),
gzlvl6 = getval("gzlvl6"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5");
getstr("f1180",f1180);
getstr("imino",imino); getstr("amino",amino);
getstr("mag_flg",mag_flg);
getstr("f2180",f2180);
getstr("C13refoc",C13refoc);
getstr("NH2only",NH2only);
/* LOAD PHASE TABLE */
settable(t1,2,phi1);
settable(t3,4,phi3);
settable(t9,16,phi9);
settable(t10,1,phi10);
settable(t11,8,rec);
/* INITIALIZE VARIABLES */
/* maximum fine power for pwC pulses (and initialize rfst) */
rf0 = 4095.0; rfst=0.0;
/* 180 degree adiabatic C13 pulse from 0 to 200 ppm */
if (C13refoc[A]=='y')
{rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35));
rfst = (int) (rfst + 0.5);
if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC )
{ text_error( " Not enough C13 RF. pwC must be %f usec or less.\n",
(1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }}
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* needs 1.69 times more */
tpwrs = (int) (tpwrs); /* power than a square pulse */
/* CHECK VALIDITY OF PARAMETER RANGES */
if ( (mix - gt4 - gt5) < 0.0 )
{ text_error("mix is too small. Make mix equal to %f or more or reduce gt4+gt5.\n",(gt4 + gt5));
psg_abort(1); }
if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{ text_error("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1); }
if((dm2[A] == 'y' || dm2[B] == 'y'))
{ text_error("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1); }
if( dpwr2 > 50 )
{ text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); }
if( pw > 20.0e-6 )
{ text_error("dont fry the probe, pw too high ! "); psg_abort(1); }
if( pwN > 100.0e-6 )
{ text_error("dont fry the probe, pwN too high ! "); psg_abort(1); }
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t1,1,4);
if (phase2 == 1)
{ tsadd(t10,2,4); icosel = 1; }
else icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
/* Correct inverted signals for NH2 only spectra */
if (NH2only[A]=='y')
{ tsadd(t3,2,4); }
if ( ((imino[A]=='y') && (amino[A]=='y')) )
{
printf(" Choose ONE of imino='y' OR amino='y' ");
psg_abort(1);
}
if ( ((imino[A]=='y') && (NH2only[A]=='y')) )
{
printf(" NH2only='y' only for amino='y'! ");
psg_abort(1);
}
/* BEGIN PULSE SEQUENCE */
status(A);
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
if (imino[A] == 'y')
dec2offset(dof2 - 45*dfrq2);
if (amino[A] == 'y')
dec2offset(dof2 - 115*dfrq2);
decpwrf(rf0);
txphase(zero);
dec2phase(zero);
delay(d1);
dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
dec2rgpulse(pwN, one, 0.0, 0.0);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl0, 0.5e-3);
txphase(t1);
decphase(zero);
dec2phase(zero);
initval(135.0,v1);
obsstepsize(1.0);
xmtrphase(v1);
delay(5.0e-4);
rcvroff();
rgpulse(pw, t1, 50.0e-6, 0.0); /* 1H pulse excitation */
xmtrphase(zero); /* SAPS_DELAY */
txphase(zero);
if (C13refoc[A]=='y')
{decpower(pwClvl-3.0); dec2power(pwNlvl-3.0);}
if (tau1 > (2.0*GRADIENT_DELAY + pwN*1.4 + 0.64*pw + 5.0*SAPS_DELAY))
{
if (C13refoc[A]=='y')
{
zgradpulse(gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - 1.4*pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - 1.4*pwN - 0.64*pw) - SAPS_DELAY);
sim3pulse(0.0, 2.0*pwC*1.4, 2.0*pwN*1.4, zero, zero, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - 1.4*pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - 1.4*pwN - 0.64*pw));
}
else
{
zgradpulse(gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY);
dec2rgpulse(2.0*pwN, zero, 0.0, 0.0);
zgradpulse(-1.0*gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw));
}
}
else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY))
delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY );
rgpulse(pw, zero, 0.0, 0.0);
if (C13refoc[A]=='y')
{decpower(pwClvl); dec2power(pwNlvl);}
delay(mix - gt4 - gt5 -400.0e-6);
zgradpulse(gzlvl4, gt4);
dec2rgpulse(pwN, zero, 200.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
rgpulse(pw, zero, 200.0e-6,0.0); /* HSQC begins */
dec2phase(zero);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
txphase(one);
zgradpulse(gzlvl0, gt0);
delay(lambda - gt0);
rgpulse(pw, one, 0.0, 0.0);
txphase(two);
obspower(tpwrs);
shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0);
obspower(tpwr);
zgradpulse(gzlvl3, gt3);
dec2phase(t3);
decpwrf(rfst);
delay(2.0e-4);
dec2rgpulse(pwN, t3, 0.0, 0.0);
decphase(zero);
/* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */
txphase(zero);
dec2phase(t9);
if (NH2only[A]=='y')
{
delay(tau2);
/* optional sech/tanh pulse in middle of t2 */
if (C13refoc[A]=='y') /* WFG_START_DELAY */
{decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0);
delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw);}
else
{delay(tNH - 2.0*pw);}
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH);
delay(tau2);
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY);
else delay(1.99e-4 - 2.0*GRADIENT_DELAY);
}
else
{
if ( (C13refoc[A]=='y') && (tau2 > 0.5e-3 + WFG2_START_DELAY) )
{delay(tau2 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */
simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0);
delay(tau2 - 0.5e-3);
delay(gt1 + 2.0e-4);}
else
{delay(tau2);
rgpulse(2.0*pw, zero, 0.0, 0.0);
delay(gt1 + 2.0e-4 - 2.0*pw);
delay(tau2);}
dec2rgpulse(2.0*pwN, t9, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(gzcal*gzlvl1, gt1);
}
else
{
zgradpulse(gzlvl1, gt1);
}
dec2phase(t10);
delay(2.0e-4 - 2.0*GRADIENT_DELAY);
}
/* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */
sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0);
dec2phase(zero);
zgradpulse(gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
dec2phase(one);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0);
txphase(zero);
dec2phase(zero);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - 1.5*pwN - gt5);
sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(1.5*gzlvl5, gt5);
delay(lambda - pwN - 0.5*pw - gt5);
rgpulse(pw, zero, 0.0, 0.0);
delay((gt1/10.0) + 1.0e-4 - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY);
rgpulse(2.0*pw, zero, 0.0, rof1);
dec2power(dpwr2); /* POWER_DELAY */
if (mag_flg[A] == 'y')
{
magradpulse(icosel*gzcal*gzlvl2, gt1/10.0);
}
else
{
zgradpulse(icosel*gzlvl2, gt1/10.0);
}
rcvron();
statusdelay(C,1.0e-4-rof1);
setreceiver(t11);
}
pulsesequence()
{
double pwx2lvl,
pwx2,
hsglvl,
hsgt,
satfrq,
satdly,
satpwr,
slpw,
slpwr,
trim,
mix,
mult,
cycles,
tau,
j1xh,
null,
phase;
int iphase;
char sspul[MAXSTR],
nullflg[MAXSTR],
PFGflg[MAXSTR],
satmode[MAXSTR];
mix = getval("mix");
slpwr = getval("slpwr");
slpw = getval("slpw");
trim = getval("trim");
mult = getval("mult");
pwx2lvl = getval("pwx2lvl");
pwx2 = getval("pwx2");
hsglvl = getval("hsglvl");
hsgt = getval("hsgt");
getstr("PFGflg",PFGflg);
getstr("nullflg",nullflg);
satfrq = getval("satfrq");
satdly = getval("satdly");
satpwr = getval("satpwr");
null = getval("null");
j1xh = getval("j1xh");
tau = 1/(4*j1xh);
phase = getval("phase");
getstr("satmode",satmode);
getstr("sspul",sspul);
iphase = (int) (phase + 0.5);
cycles = (mix - trim ) / (96.66*slpw);
cycles = 2.0*(double) (int) (cycles/2.0);
initval(cycles, v9);
settable(t1,4,ph1);
settable(t2,2,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
settable(t5,16,ph5);
getelem(t2,ct,v2);
getelem(t5,ct,oph);
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
if (iphase == 2)
incr(v2);
add(v2,v14,v2);
add(oph,v14,oph);
status(A);
dec2power(pwx2lvl);
obspower(tpwr);
if (sspul[0] == 'y')
{
if (PFGflg[0] == 'y')
{
zgradpulse(hsglvl,hsgt);
rgpulse(pw,zero,rof1,rof1);
zgradpulse(hsglvl,hsgt);
}
else
{
obspower(tpwr-12);
rgpulse(500*pw,zero,rof1,rof1);
rgpulse(500*pw,one,rof1,rof1);
obspower(tpwr);
}
}
delay(d1);
if (satmode[0] == 'y')
{
obspower(satpwr);
if (satfrq != tof)
obsoffset(satfrq);
rgpulse(satdly,zero,rof1,rof1);
if (satfrq != tof)
obsoffset(tof);
obspower(tpwr);
delay(1.0e-5);
}
status(B);
if (PFGflg[0] == 'y')
{
if (nullflg[0] == 'y')
{
rgpulse(0.5*pw,zero,rof1,rof1);
delay(2*tau);
sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(1.5*pw,two,rof1,rof1);
zgradpulse(hsglvl,hsgt);
delay(1e-3);
}
}
else
{
if (null != 0.0)
{
rgpulse(pw,zero,rof1,rof1);
delay(2*tau);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1,rof1);
delay(2*tau);
rgpulse(pw,two,rof1,rof1);
delay(null);
}
}
rcvroff();
rgpulse(pw,zero,rof1,rof1);
delay(tau - pwx2 - 2*pw/PI - 2*rof1);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1,rof1);
delay(tau - pwx2 - 2*pwx2/PI - 2*rof1);
sim3pulse(pw,0.0,pwx2,t1,zero,v2,rof1,2.0e-6);
if (d2/2 > 0.0)
delay(d2/2 - (2*pwx2/PI) - pw - 4.0e-6);
else
delay(d2/2);
rgpulse(2*pw,zero,2.0e-6,2.0e-6);
if (d2/2 > 0.0)
delay(d2/2 - (2*pwx2/PI) - pw - 4.0e-6);
else
delay(d2/2);
sim3pulse(pw,0.0,pwx2,t3,zero,t4,2.0e-6,rof1);
delay(tau - pwx2 - (2*pwx2/PI) - 2*rof1);
sim3pulse(2*pw,0.0,2*pwx2,zero,zero,zero,rof1, rof1);
obspower(slpwr);
txphase(zero);
delay(tau - rof1 - pwx2 - POWER_DELAY);
if (cycles > 1.0)
{
xmtron();
delay(trim);
starthardloop(v9);
mleva(); mleva(); mlevb(); mlevb();
mlevb(); mleva(); mleva(); mlevb();
mlevb(); mlevb(); mleva(); mleva();
mleva(); mlevb(); mlevb(); mleva();
txphase(one); delay(0.66*slpw);
endhardloop();
xmtroff();
}
if (mult > 0.5)
{
obspower(tpwr);
delay(tau - POWER_DELAY - rof1);
sim3pulse(2*pw,0.0,mult*pwx2,zero,zero,zero,rof1,0.0);
rcvron();
dec2power(dpwr2);
delay(tau - POWER_DELAY);
}
else
{
dec2power(dpwr2);
delay(rof2 - POWER_DELAY);
rcvron();
}
status(C);
}
pulsesequence()
{
double gzlvlE = getval("gzlvlE"),
gtE = getval("gtE"),
EDratio = getval("EDratio"),
gstab = getval("gstab"),
mult = getval("mult"),
pwx180 = getval("pwx180"),
pwxlvl180 = getval("pwxlvl180"),
pwx180r = getval("pwx180r"),
pwxlvl180r = getval("pwxlvl180r"),
tpwr180 = getval("tpwr180"),
pw180 = getval("pw180"),
hsglvl = getval("hsglvl"),
hsgt = getval("hsgt"),
gzlvl5 = getval("gzlvl5"),
tau,
taug;
int icosel,
phase1 = (int)(getval("phase")+0.5),
prgcycle = (int)(getval("prgcycle")+0.5),
ZZgsign;
char pwx180ad[MAXSTR],
pwx180ref[MAXSTR],
bipflg[MAXSTR],
pw180ad[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtE = syncGradTime("gtE","gzlvlE",0.5);
gzlvlE = syncGradLvl("gtE","gzlvlE",0.5);
getstr("pwx180ad", pwx180ad);
getstr("pwx180ref", pwx180ref);
getstr("pw180ad", pw180ad);
getstr("bipflg",bipflg);
if (bipflg[0] == 'y')
{
tpwr180=getval("tnbippwr");
pw180=getval("tnbippw");
getstr("tnbipshp",pw180ad);
}
if (bipflg[1] == 'y')
{
pwxlvl180=getval("dnbippwr");
pwx180=getval("dnbippw");
getstr("dnbipshp",pwx180ad);
}
tau = 1 / (4*(getval("j1xh")));
if (mult > 0.5)
taug = 2*tau + getval("tauC");
else
taug = gtE + gstab + 2 * GRADIENT_DELAY;
ZZgsign=-1;
if (mult == 2) ZZgsign=1;
icosel = 1;
assign(ct,v17);
assign(zero,v18);
assign(zero,v19);
if (getflag("prgflg") && (satmode[0] == 'y') && (prgcycle > 1.5))
{
hlv(ct,v17);
mod2(ct,v18); dbl(v18,v18);
if (prgcycle > 2.5)
{
hlv(v17,v17);
hlv(ct,v19); mod2(v19,v19); dbl(v19,v19);
}
}
settable(t1, 4, ph1);
settable(t2, 2, ph2);
settable(t3, 8, ph3);
settable(t4, 16, ph4);
settable(t5, 16, ph5);
getelem(t1, v17, v1);
getelem(t3, v17, v3);
getelem(t4, v17, v4);
getelem(t2, v17, v2);
getelem(t5, v17, oph);
assign(zero,v6);
add(oph,v18,oph);
add(oph,v19,oph);
if ((phase1 == 2) || (phase1 == 5))
icosel = -1;
initval(2.0*(double)(((int)(d2*getval("sw1")+0.5)%2)),v14);
/*
mod2(id2, v14);
dbl(v14,v14);
*/
add(v2, v14, v2);
add(oph, v14, oph);
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
if (getflag("slpsat"))
{
shaped_satpulse("relaxD",satdly,zero);
if (getflag("prgflg"))
shaped_purge(v6,zero,v18,v19);
}
else
{
satpulse(satdly,zero,rof1,rof1);
if (getflag("prgflg"))
purge(v6,zero,v18,v19);
}
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
obspower(tpwr);
decpower(pwxlvl180);
status(B);
if (getflag("nullflg"))
{
rgpulse(0.5 * pw, zero, rof1, rof1);
obspower(tpwr180);
delay(tau);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
delay(tau+POWER_DELAY+rof1);
delay(tau+POWER_DELAY+rof1);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
obspower(tpwr);
delay(tau);
rgpulse(0.5 * pw, zero, rof1, rof1);
zgradpulse(hsglvl, hsgt);
delay(1e-3);
}
rgpulse(pw, v6, rof1, rof1);
obspower(tpwr180);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
delay(tau+2.0*POWER_DELAY+2.0*rof1);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof1);
delay(tau);
obspower(tpwr);
rgpulse(pw, v1, rof1, rof1);
zgradpulse(hsglvl, 2 * hsgt);
decpower(pwxlvl);
obspower(tpwr180);
delay(1e-3);
decrgpulse(pwx, v2, rof1, 2.0e-6);
delay(d2 / 2);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
delay(d2 / 2);
delay(taug - POWER_DELAY);
decpower(pwxlvl180r);
decshaped_pulse(pwx180ref, pwx180r, zero, rof1, rof1);
if(mult < 1.5)
{
obspower(tpwr);
if (mult <0.5)
delay(2*rof1);
else
rgpulse(mult*pw,zero,rof1,rof1);
}
else
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
if(mult < 1.5)
delay(4*pwx/PI + 4.0e-6 + taug - gtE - gstab - 2 * GRADIENT_DELAY + WFG_START_DELAY + pw180 + WFG_STOP_DELAY - mult*pw);
else
delay(4*pwx/PI + 4.0e-6 + POWER_DELAY + taug - gtE - gstab - 2 * GRADIENT_DELAY);
zgradpulse(gzlvlE, gtE);
delay(gstab);
decshaped_pulse(pwx180ref, pwx180r, zero, rof1, rof1);
decpower(pwxlvl);
decrgpulse(pwx, v4, 2.0e-6, rof1);
obspower(tpwr);
decpower(pwxlvl180);
zgradpulse(ZZgsign*0.6 * hsglvl, 1.2 * hsgt);
delay(1e-3);
rgpulse(pw, v3, rof1, rof1);
obspower(tpwr180);
shaped_pulse(pw180ad,pw180,zero,rof1,rof1);
zgradpulse(gzlvl5,gtE/2.0);
delay(tau-gtE/2.0+2.0*POWER_DELAY);
simshaped_pulse(pw180ad,pwx180ad,pw180,pwx180,zero,zero,rof1,rof2);
zgradpulse(gzlvl5+icosel * 2.0*gzlvlE/EDratio, gtE/2.0);
delay(tau-gtE/2.0);
decpower(dpwr);
status(C);
}
pulsesequence()
{
double slpwrT = getval("slpwrT"),
slpwT = getval("slpwT"),
mixT = getval("mixT"),
trim = getval("trim"),
tauz1 = getval("tauz1"),
tauz2 = getval("tauz2"),
tauz3 = getval("tauz3"),
tauz4 = getval("tauz4"),
selpwrA = getval("selpwrA"),
selpwA = getval("selpwA"),
gzlvlA = getval("gzlvlA"),
gtA = getval("gtA"),
selpwrB = getval("selpwrB"),
selpwB = getval("selpwB"),
gzlvlB = getval("gzlvlB"),
gtB = getval("gtB"),
gstab = getval("gstab"),
selfrq = getval("selfrq");
char selshapeA[MAXSTR],
selshapeB[MAXSTR],
slpatT[MAXSTR];
//synchronize gradients to srate for probetype='nano'
// Preserve gradient "area"
gtA = syncGradTime("gtA","gzlvlA",1.0);
gzlvlA = syncGradLvl("gtA","gzlvlA",1.0);
gtB = syncGradTime("gtB","gzlvlB",1.0);
gzlvlB = syncGradLvl("gtB","gzlvlB",1.0);
getstr("slpatT",slpatT);
getstr("selshapeA",selshapeA);
getstr("selshapeB",selshapeB);
if (strcmp(slpatT,"mlev17c") &&
strcmp(slpatT,"dipsi2") &&
strcmp(slpatT,"dipsi3") &&
strcmp(slpatT,"mlev17") &&
strcmp(slpatT,"mlev16"))
abort_message("SpinLock pattern %s not supported!.\n", slpatT);
assign(ct,v6);
if (getflag("zqfilt"))
{ hlv(v6,v6); hlv(v6,v6); }
settable(t1,4,ph1); getelem(t1,v6,v1);
settable(t3,8,ph3); getelem(t3,v6,v11);
settable(t4,8,ph4);
settable(t2,4,ph2); getelem(t2,v6,v2);
settable(t7,8,ph7); getelem(t7,v6,v7);
settable(t8,4,ph8); getelem(t8,v6,v8);
if (getflag("zqfilt"))
getelem(t4,v6,oph);
else
assign(v1,oph);
sub(v2,one,v3);
add(v2,two,v4);
add(v3,two,v5);
mod4(ct,v10);
/* BEGIN THE ACTUAL PULSE SEQUENCE */
status(A);
obspower(tpwr);
delay(5.0e-5);
if (getflag("sspul"))
steadystate();
if (satmode[0] == 'y')
{
if ((d1-satdly) > 0.02)
delay(d1-satdly);
else
delay(0.02);
satpulse(satdly,v6,rof1,rof1);
}
else
delay(d1);
if (getflag("wet"))
wet4(zero,one);
status(B);
rgpulse(pw, v1, rof1, rof1);
if (selfrq != tof)
obsoffset(selfrq);
zgradpulse(gzlvlA,gtA);
delay(gstab);
obspower(selpwrA);
shaped_pulse(selshapeA,selpwA,v1,rof1,rof1);
obspower(tpwr);
zgradpulse(gzlvlA,gtA);
delay(gstab);
if (selfrq != tof)
delay(2*OFFSET_DELAY);
zgradpulse(gzlvlB,gtB);
delay(gstab);
obspower(selpwrB);
shaped_pulse(selshapeB,selpwB,v2,rof1,rof1);
obspower(slpwrT);
zgradpulse(gzlvlB,gtB);
delay(gstab);
if (selfrq != tof)
obsoffset(tof);
if (mixT > 0.0)
{
rgpulse(trim,v11,0.0,0.0);
if (dps_flag)
rgpulse(mixT,v3,0.0,0.0);
else
SpinLock(slpatT,mixT,slpwT,v2,v3,v4,v5, v9);
}
if (getflag("zqfilt"))
{
obspower(tpwr);
rgpulse(pw,v7,1.0e-6,rof1);
ifzero(v10); delay(tauz1); endif(v10);
decr(v10);
ifzero(v10); delay(tauz2); endif(v10);
decr(v10);
ifzero(v10); delay(tauz3); endif(v10);
decr(v10);
ifzero(v10); delay(tauz4); endif(v10);
rgpulse(pw,v8,rof1,rof2);
}
else
delay(rof2);
status(C);
}
pulsesequence()
{
double d3 = getval("d3"),
vtcomplvl = getval("vtcomplvl"),
gzlvl = getval("gzlvl"),
shapedpw90 = getvalnwarn("shapedpw90"),
shapedpw180 = getvalnwarn("shapedpw180"),
shapedpwr90 = getvalnwarn("shapedpwr90"),
shapedpwr180 = getvalnwarn("shapedpwr180"),
gt,gts,lvlf;
int hs_gradtype;
char shaped[MAXSTR], shapename90[MAXSTR], shapename180[MAXSTR];
getstrnwarn("shaped", shaped);
getstrnwarn("shapename90", shapename90);
getstrnwarn("shapename180", shapename180);
settmpgradtype("tmpgradtype");
hs_gradtype = ((specialGradtype == 'h') || (specialGradtype == 'a'));
if ((p1==0.0) && ((vtcomplvl>0.5) || (hs_gradtype)))
{
p1 = 2.0*pw;
}
if ((vtcomplvl==2) && ((hs_gradtype) || (spin>0)))
{
vtcomplvl = 1;
if (ix==1)
{
text_message("gmapz: vtcomplvl set to 1\n");
putCmd("setvalue('vtcomplvl',%.0f)\n",vtcomplvl);
putCmd("setvalue('vtcomplvl',%.0f,'processed')\n",vtcomplvl);
}
}
/* lvlf, gt, gts only used for convection compensation */
if (gradtype[2]=='l')
lvlf=2.5;
else
lvlf=3.0;
if ((hs_gradtype) || (spin>0))
lvlf=1.0;
gt = (0.5*at + d2)/lvlf;
gts=0.18*at/lvlf;
gts = 0.2*at/lvlf;
if (vtcomplvl==2)
gt += gts;
gt *= 2.0;
settable(t1,16,ph1);
settable(t2,2,ph2);
settable(t3,8,ph3);
settable(t4,16,ph4);
sub(ct,ssctr,v12);
getelem(t1,v12,v1);
getelem(t2,v12,v2);
getelem(t3,v12,v3);
getelem(t4,v12,oph);
if (vtcomplvl < 0.5)
{
getelem(t4,v12,v1);
getelem(t1,v12,v2);
}
/* --- equilibration period --- */
status(A);
delay(d1);
/* --- initial pulse --- */
status(B);
if (shaped[A] == 'y') {
obspower(shapedpwr90);
shaped_pulse(shapename90,shapedpw90,v1,rof1,rof2);
obspower(tpwr);
}
else
pulse(pw,v1);
/* instead of hard pulse, could use shapedpulse("gauss",pw,oph,rof1,rof2);
or "bir4_90_512" or other shape for selective excitation.
selective inversion pulses may or may not work as well. */
/* --- shim phase encode, not during PFG recovery --- */
delay(2e-5+d3);
/* First case: No convection compensation, traditional sequence */
if (vtcomplvl < 0.5)
{
if (p1 > 0)
{
zgradpulse(gzlvl,at/2+d2);
delay(d2);
if (shaped[A] == 'y') {
obspower(shapedpwr180);
shaped_pulse(shapename180,shapedpw180,v2,rof1,rof2);
obspower(tpwr);
}
else
pulse(p1,v2);
delay(d2);
}
else
{
zgradpulse(-gzlvl,at/2+d2);
delay(d2*2);
}
}
else /* (vtcomplvl > 0.5) */
{
/* Second case: convection compensation */
zgradpulse(gzlvl,at/2+d2);
delay(d2);
if (vtcomplvl==2)
{
zgradpulse(lvlf*gzlvl,gts);
delay(d2);
}
if (shaped[A] == 'y') {
obspower(shapedpwr180);
shaped_pulse(shapename180,shapedpw180,v2,rof1,rof2);
}
else
pulse(p1,v2);
delay(d2);
zgradpulse(lvlf*gzlvl,gt);
delay(d2);
if (shaped[A] == 'y') {
shaped_pulse(shapename180,shapedpw180,v3,rof1,rof2);
obspower(tpwr);
}
else
pulse(p1,v3);
delay(d2);
if (vtcomplvl==2)
{
zgradpulse(lvlf*gzlvl,gts);
delay(d2);
}
}
/* --- acq. of echo during gradient --- */
rgradient('z',gzlvl);
delay(d2);
/* gradient switches off at end of acq. */
}
void pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
mag_flg[MAXSTR], /*magic angle gradient*/
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int icosel1, /* used to get n and p type */
icosel2,
t1_counter, /* used for states tppi in t1 */
t2_counter, /* used for states tppi in t2 */
ni2 = getval("ni2");
double tau1, /* t1 delay */
tau2, /* t2 delay */
del = getval("del"), /* time delays for CH coupling evolution */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
del1 = getval("del1"),
del2 = getval("del2"),
/* STUD+ waveforms automatically calculated by macro "biocal" */
/* and string parameter stCdec calls them from your shapelib. */
stdmf, /* dmf for STUD decoupling */
studlvl, /* coarse power for STUD+ decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
bw, ofs, ppm, /* temporary Pbox parameters */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* p_d is used to calculate the isotropic mixing on the Cab region */
spinlock = getval("spinlock"), /* DIPSI-3 spinlock field strength in Hz */
p_d, /* 50 degree pulse for DIPSI-2 at rfd */
rfd, /* fine power for 7 kHz rf for 500MHz magnet */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
/* the following pulse lengths for SLP pulses are automatically calculated */
/* by the macro "ghcch_tocsy" . SLP pulse shapes, "offC10" etc are called */
/* directly from your shapelib. */
pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */
pwZ, /* the largest of pwC10 and 2.0*pwN */
rf10, /* fine power for the pwC10 ("offC10") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"),
sw2 = getval("sw2"),
gt1 = getval("gt1"), /* coherence pathway gradients */
gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gt3 = getval("gt3"), /* other gradients */
gt5 = getval("gt5"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6");
getstr("STUD",STUD);
getstr("mag_flg",mag_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
strcpy(stCdec, "stCdec80");
stdmf = getval("dmf80");
studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3,2,phi3);
settable(t6,1,phi6);
settable(t5,4,phi5);
settable(t10,1,phi10);
settable(t11,4,rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if( dpwrf < 4095 )
{ printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1); }
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
setautocal(); /* activate auto-calibration flags */
if (autocal[0] == 'n')
{
/* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
pwC10 = getval("pwC10");
rf10 = (compC*4095.0*pwC*2.0*1.65)/pwC10; /* needs 1.65 times more */
rf10 = (int) (rf10 + 0.5); /* power than a square pulse */
if( pwC > (24.0e-6*600.0/sfrq) )
{ printf("Increase pwClvl so that pwC < 24*600/sfrq");
psg_abort(1);
}
}
else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */
{
if(FIRST_FID) /* call Pbox */
{
ppm = getval("dfrq");
bw = 118.0*ppm; ofs = 139.0*ppm;
offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC*pwC, pwClvl);
if(dm3[B] == 'y') H2ofs = 3.2;
ofs_check(H1ofs, C13ofs, N15ofs, H2ofs);
}
rf10 = offC10.pwrf; pwC10 = offC10.pw;
}
/* dipsi-3 decoupling on CbCa */
p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 Field Strength */
rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/* CHECK VALIDITY OF PARAMETER RANGES */
if( gt1 > 0.5*del - 1.0e-4)
{
printf(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 1.0e-4));
psg_abort(1);
}
if( dm[A] == 'y' )
{
printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if((dm2[A] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec3 decoupler flags! Should be 'nnn' or 'nyn' ");
psg_abort(1);
}
if( dpwr > 52 )
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if( pw > 50.0e-6 )
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if( pwN > 100.0e-6 )
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
icosel1 = -1; icosel2 = -1;
if (phase1 == 2)
{ tsadd(t6,2,4); icosel1 = -1*icosel1; }
if (phase2 == 2)
{ tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); }
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
tau1 = tau1/2.0;
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
tau2 = tau2/2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t3,2,4); tsadd(t11,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t5,2,4); tsadd(t11,2,4); }
/* BEGIN PULSE SEQUENCE */
status(A);
if ( dm3[B] == 'y' )
lk_sample();
if ((ni/sw1-d2)>0)
delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/
if ((ni2/sw2-d3)>0)
delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/
delay(d1);
if ( dm3[B] == 'y' )
{ lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/
zgradpulse(gzlvl1, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7*gzlvl1, 0.5e-3);
delay(5.0e-4);
if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */
{
dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
decphase(zero);
delay(0.5*del + tau1 - 2.0*pwC);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0*pw, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
{
magradpulse(icosel1*gzcal*gzlvl1,0.1*gt1);
}
else
{
zgradpulse(icosel1*gzlvl1, 0.1*gt1);
}
decphase(t5);
delay(0.5*del - 0.1*gt1);
simpulse(pw, pwC, zero, t5, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
decphase(zero);
delay(0.5*del2 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
txphase(t6);
decphase(one);
delay(0.5*del2 - gt3);
simpulse(pw, pwC, t6, one, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
txphase(zero);
decphase(zero);
delay(0.5*del1 - gt3);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt3);
delay(0.5*del1 - gt3);
decrgpulse(pwC, zero, 0.0, 0.0);
decpwrf(rfd);
delay(2.0e-6);
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(5.0*p_d,two,0.0,0.0);
decrgpulse(5.5*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.6*p_d,zero,0.0,0.0);
decrgpulse(7.2*p_d,two,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.4*p_d,two,0.0,0.0);
decrgpulse(6.8*p_d,zero,0.0,0.0);
decrgpulse(7.0*p_d,two,0.0,0.0);
decrgpulse(5.2*p_d,zero,0.0,0.0);
decrgpulse(5.4*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.5*p_d,two,0.0,0.0);
decrgpulse(7.3*p_d,zero,0.0,0.0);
decrgpulse(5.1*p_d,two,0.0,0.0);
decrgpulse(7.9*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
decrgpulse(5.0*p_d,zero,0.0,0.0);
decrgpulse(5.5*p_d,two,0.0,0.0);
decrgpulse(0.6*p_d,zero,0.0,0.0);
decrgpulse(4.6*p_d,two,0.0,0.0);
decrgpulse(7.2*p_d,zero,0.0,0.0);
decrgpulse(4.9*p_d,two,0.0,0.0);
decrgpulse(7.4*p_d,zero,0.0,0.0);
decrgpulse(6.8*p_d,two,0.0,0.0);
decrgpulse(7.0*p_d,zero,0.0,0.0);
decrgpulse(5.2*p_d,two,0.0,0.0);
decrgpulse(5.4*p_d,zero,0.0,0.0);
decrgpulse(0.6*p_d,two,0.0,0.0);
decrgpulse(4.5*p_d,zero,0.0,0.0);
decrgpulse(7.3*p_d,two,0.0,0.0);
decrgpulse(5.1*p_d,zero,0.0,0.0);
decrgpulse(7.9*p_d,two,0.0,0.0);
endhardloop();
dec2phase(zero);
decphase(zero);
txphase(zero);
decpwrf(rf10);
delay(tau2);
/* WFG3_START_DELAY */
sim3shaped_pulse("", "offC10", "", 2.0*pw, pwC10, 2.0*pwN, zero, zero, zero, 0.0, 0.0);
if(pwC10>2.0*pwN) pwZ=0.0; else pwZ=2.0*pwN - pwC10;
delay(tau2);
decpwrf(rf0);
if (mag_flg[A] == 'y')
{
magradpulse(-icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(-icosel2*gzlvl2, 1.8*gt1);
}
delay(2.02e-4);
decrgpulse(2.0*pwC, zero, 0.0, 0.0);
decpwrf(rf10);
if (mag_flg[A] == 'y')
{
magradpulse(icosel2*gzcal*gzlvl2, 1.8*gt1);
}
else
{
zgradpulse(icosel2*gzlvl2, 1.8*gt1);
}
delay(2.0e-4 + WFG3_START_DELAY + pwZ);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
decpwrf(rf0);
decrgpulse(pwC, zero, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(0.5*del1 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
txphase(one);
decphase(t10);
delay(0.5*del1 - gt5);
simpulse(pw, pwC, one, t10, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
txphase(zero);
decphase(zero);
delay(0.5*del2 - gt5);
simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(0.5*del2 - gt5);
simpulse(pw, pwC, zero, zero, 0.0, 0.0);
delay(0.5*del - 0.5*pwC);
simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0);
if (mag_flg[A] == 'y')
magradpulse(gzcal*gzlvl1, gt1);
else
zgradpulse(gzlvl1, gt1);
rcvron();
if ((STUD[A]=='n') && (dm[C] == 'y'))
decpower(dpwr);
if ( dm3[B] == 'y' ) /* turns off 2H decoupling */
{
delay(0.5*del-40.0e-6 -gt1 -1/dmf3);
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
lk_sample();
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
else
{
delay(0.5*del-40.0e-6 -gt1);
if (mag_flg[A] == 'y')
statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY);
else
statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY);
}
if ((STUD[A]=='y') && (dm[C] == 'y'))
{decpower(studlvl);
decunblank();
decon();
decprgon(stCdec,1/stdmf, 1.0);
startacq(alfa);
acquire(np, 1.0/sw);
decprgoff();
decoff();
decblank();
}
setreceiver(t11);
}
void pulsesequence()
{
char
shname1[MAXSTR],
f1180[MAXSTR],
f2180[MAXSTR],
CT_flg[MAXSTR],
n15_flg[MAXSTR];
int icosel,
t1_counter,
t2_counter,
ni2 = getval("ni2"),
phase;
double d2_init=0.0,
d3_init=0.0,
pwS1,pwS2,pwS3,pwS4,pwS5,pwS6,pwS7,max,
kappa,
lambda = getval("lambda"),
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"),
gzlvl5 = getval("gzlvl5"),
gzlvl6 = getval("gzlvl6"),
gt1 = getval("gt1"),
gt3 = getval("gt3"),
gt4 = getval("gt4"),
gt5 = getval("gt5"),
gt6 = getval("gt6"),
gstab = getval("gstab"),
tpwrsf = getval("tpwrsf"),
shlvl1,
shpw1 = getval("shpw1"),
pwClvl = getval("pwClvl"),
pwNlvl = getval("pwNlvl"),
pwN = getval("pwN"),
dpwr2 = getval("dpwr2"),
d2 = getval("d2"),
shbw = getval("shbw"),
shofs = getval("shofs")-4.77,
scale = getval("scale"),
sw1 = getval("sw1"),
timeTN = getval("timeTN"),
timeTN1,
Delta,
t2a,t2b,halfT2,ctdelay,
tauNCO = getval("tauNCO"),
CTdelay = getval("CTdelay"),
tauC = getval("tauC"),
tau1, tau2,
taunh = getval("taunh");
getstr("shname1", shname1);
getstr("CT_flg",CT_flg);
getstr("n15_flg",n15_flg);
getstr("f1180",f1180);
getstr("f2180",f2180);
phase = (int) (getval("phase") + 0.5);
settable(t1,2,phi1);
settable(t3,1,phi3);
settable(t4,4,phi4);
settable(t5,1,phi5);
settable(t14,4,phi14);
settable(t24,4,phi24);
/* INITIALIZE VARIABLES */
timeTN1= timeTN-tauC;
Delta = timeTN-tauC-tauNCO;
//shpw1 = pw*8.0;
shlvl1=tpwr;
pwS1 = c13pulsepw("ca", "co", "square", 90.0);
pwS2 = c13pulsepw("ca", "co", "square", 180.0);
pwS3 = c13pulsepw("co", "ca", "sinc", 180.0);
pwS7 = c13pulsepw("co", "ca", "sinc", 90.0);
pwS4 = h_shapedpw("eburp2",shbw,shofs,zero, 0.0, 0.0);
pwS6 = h_shapedpw("reburp",shbw,shofs,zero, 0.0, 0.0);
pwS5 = h_shapedpw("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
if (CT_flg[0] == 'y')
{
if ( ni*1/(sw1)/2.0 > (CTdelay*0.5-gt3-1.0e-4))
{ printf(" ni is too big. Make ni equal to %d or less.\n",
((int)((CTdelay*0.5-gt3-1.0e-4)*2.0*sw1))); psg_abort(1);}
}
if (phase == 1) ;
if (phase == 2) {tsadd(t1,1,4);}
if ( phase2 == 2 )
{
tsadd ( t3,2,4 );
tsadd ( t5,2,4 );
icosel = +1;
}
else icosel = -1;
/* Set up f1180 */
tau1 = d2;
if((f1180[A] == 'y') && (ni > 1.0))
{ tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; }
/* Set up f2180 */
tau2 = d3;
if((f2180[A] == 'y') && (ni2 > 1.0))
{ tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; }
/************************************************************/
if( ix == 1) d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 );
if(t1_counter % 2)
{ tsadd(t1,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
if( ix == 1) d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 );
if(t2_counter % 2)
{ tsadd(t4,2,4); tsadd(t14,2,4); tsadd(t24,2,4); }
/************************************************************/
/* Set up CONSTANT/SEMI-CONSTANT time evolution in N15 */
/************************************************************/
ctdelay = timeTN1-gt1-1.0e-4;
// ctdelay = timeTN1-gt1-1.0e-4-2.0*GRADIENT_DELAY-4*POWER_DELAY-4*PWRF_DELAY-(4/PI)*pwN;
if (ni2 > 1)
{
halfT2 = 0.5*(ni2-1)/sw2;
t2b = (double) t2_counter*((halfT2 - ctdelay)/((double)(ni2-1)));
if( ix==1 && halfT2 - timeTN > 0 ) printf("SCT mode on, max ni2=%g\n",timeTN*sw2*2+1);
if(t2b < 0.0) t2b = 0.0;
t2a = ctdelay - tau2*0.5 + t2b;
if(t2a < 0.2e-6) t2a = 0.0;
}
else
{
t2b = 0.0;
t2a = ctdelay - tau2*0.5;
}
/************************************************************/
status(A);
rcvroff();
decpower(pwClvl);
decoffset(dof);
dec2power(pwNlvl);
dec2offset(dof2);
obspwrf(tpwrsf);
decpwrf(4095.0);
obsoffset(tof);
set_c13offset("co");
dec2rgpulse(pwN*2.0,zero,0.0,0.0);
zgradpulse(gzlvl4, gt4);
delay(1.0e-4);
delay(d1-gt4);
lk_hold();
h_shapedpulse("pc9f",shbw,shofs,zero, 2.0e-6, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, one, zero, zero, 0.0, 0.0);
delay(lambda-pwS5*0.5-pwS6*0.4);
if(n15_flg[0]=='y') h_shapedpulse("pc9f_",shbw,shofs,three, 0.0, 0.0);
else h_shapedpulse("pc9f_",shbw,shofs,one, 0.0, 0.0);
zgradpulse(gzlvl4, gt4*4.0);
delay(1.0e-4);
obspower(shlvl1);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA transfer xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
dec2rgpulse(pwN,zero,0.0,0.0);
delay(timeTN1);
sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(Delta);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(timeTN1-Delta-pwS3+pwN*4.0/3.0);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
dec2rgpulse(pwN,one,0.0,0.0);
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx 13CA EVOLUTION xxxxxxxxxxxxxxxxxx */
/**************************************************************************/
set_c13offset("ca");
c13pulse("ca", "co", "square", 90.0, t1, 2.0e-6, 0.0);
if(CT_flg[0]=='y')
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(CTdelay*0.5-gt3-1.0e-4);
c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(CTdelay*0.5-gt3-1.0e-4-tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
else
{
delay(tau1*0.5);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
delay(tau1*0.5);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
sim3_c13pulse(shname1, "co", "ca", "sinc", "", shpw1, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
zgradpulse(gzlvl3, gt3);
delay(1.0e-4);
}
c13pulse("ca", "co", "square", 90.0, zero, 0.0, 0.0);
set_c13offset("co");
/**************************************************************************/
/* xxxxxxxxxxxxxxxxxxxxxx N-> CA back transfer xxxxxxxxxxxxxxx */
/**************************************************************************/
obspower(shlvl1);
dec2rgpulse(pwN,t4,0.0,0.0);
c13pulse("co", "ca", "sinc", 90.0, one, 0.0, 0.0);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN,
zero, zero, zero, 2.0e-6, 2.0e-6);
c13pulse("ca", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6);
delay(tauC);
c13pulse("co", "ca", "sinc", 90.0, zero, 0.0, 0.0);
// delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3);
delay(timeTN1-Delta+tau2*0.5-pwS2-pwS3-2.0*GRADIENT_DELAY+4*POWER_DELAY+4*PWRF_DELAY);
c13pulse("co", "ca", "sinc", 180.0, zero, 0.0, 0.0);
delay(Delta);
c13pulse("ca", "co", "square", 180.0, zero, 0.0, 0.0);
delay (t2b);
dec2rgpulse (2.0*pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl1, gt1);
delay(1.0e-4);
delay (t2a);
/**************************************************************************/
/** gradient-selected TROSY sequence *********/
/**************************************************************************/
delay(gt1/10.0+1.0e-4);
h_shapedpulse("eburp2_",shbw,shofs,t3, 2.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(lambda-pwS6*0.5-pwS4*scale- gt5);
h_shapedpulse("eburp2",shbw,shofs,zero, 0.0, 0.0);
delay(gt1/10.0+1.0e-4);
dec2rgpulse(pwN,one,0.0,0.0);
zgradpulse(gzlvl6, gt6);
txphase(zero);
delay(lambda-pwS6*0.5-gt6);
h_sim3shapedpulse("reburp",shbw,shofs,0.0,2.0*pwN, zero, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt6);
delay(lambda-pwS6*0.5-gt6);
dec2rgpulse(pwN,t5,0.0,0.0);
/**************************************************************************/
zgradpulse(-icosel*gzlvl2, gt1/10.0);
dec2power(dpwr2);
lk_sample();
if (n15_flg[0] =='y')
{
setreceiver(t14);
}
else
{
setreceiver(t24);
}
rcvron();
statusdelay(C,1.0e-4 );
}
void pulsesequence()
{
/* DECLARE VARIABLES */
char
f1180[MAXSTR],f2180[MAXSTR],satmode[MAXSTR];
int icosel,t1_counter,t2_counter,first_FID;
double /* DELAYS */
tau1, /* t1/2 */
tau2, /* t2/2 */
/* COUPLINGS */
jhn = getval("jhn"), tauhn,
jnco = getval("jnco"), taunco,
jcoca = getval("jcoca"), taucoca,
jnca = getval("jnca"), taunca,
jhaca = getval("jhaca"), tauhaca,
jcaha = getval("jcaha"), taucaha,
jcacb = getval("jcacb"), taucacb,
/* PULSES */
pwN = getval("pwN"), /* PW90 for N-nuc */
pwC = getval("pwC"), /* PW90 for C-nuc */
pwHs = getval("pwHs"), /* pw for water selective pulse at twprsl */
/* POWER LEVELS */
satpwr = getval("satpwr"), /* low power level for presat */
tpwrsf_d = getval("tpwrsf_d"), /* fine power level "down" flipback pulse*/
tpwrsf_u = getval("tpwrsf_u"), /* fine power level "up" flipback pulse*/
tpwrs, /* power level for selective pulse for water */
tpwrd,pwHd, /* power/pulse width for decoupling */
pwClvl = getval("pwClvl"), /* power level for C hard pulses */
compH = getval("compH"), /* compression factor */
compC = getval("compC"), /* compression factor */
pwNlvl = getval("pwNlvl"), /* power level for N hard pulses */
rf90onco, pw90onco, /* power level/width for CO 90 pulses */
rf180onco, pw180onco, /* power level/width for CO 180 pulses */
rf180offca, pw180offca, /* power level/width for off-res Ca 180 pulses */
/* CONSTANTS */
lambda = getval("lambda"), /* J scaling factor */
kappa, /* semi constant-time factor */
ni2=getval("ni2"),
waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */
/* GRADIENT DELAYS AND LEVES */
gt0 = getval("gt0"), /* gradient time */
gt1 = getval("gt1"), /* gradient time */
gt3 = getval("gt3"), /* gradient time */
gt5 = getval("gt5"),
gstab = getval("gstab"),
gzlvl0 = getval("gzlvl0"), /* level of gradient */
gzlvl1 = getval("gzlvl1"),
gzlvl2 = getval("gzlvl2"),
gzlvl3 = getval("gzlvl3"),
gzlvl5 = getval("gzlvl5");
/* power level and pulse time for WALTZ 1H decoupling */
pwHd = 1/(4.0 * waltzB1);
tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw));
tpwrd = (int) (tpwrd + 0.5);
/* LOAD VARIABLES */
getstr("satmode",satmode);
getstr("f1180",f1180);
getstr("f2180",f2180);
/* check validity of parameter range */
if ((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ))
{
printf("incorrect Dec1 decoupler flags! ");
psg_abort(1);
}
if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ))
{
printf("incorrect Dec2 decoupler flags! ");
psg_abort(1);
}
if ( satpwr > 8 )
{
printf("satpwr too large !!! ");
psg_abort(1);
}
if ( dpwr > 50 )
{
printf("don't fry the probe, dpwr too large! ");
psg_abort(1);
}
if ( dpwr2 > 50 )
{
printf("don't fry the probe, dpwr2 too large! ");
psg_abort(1);
}
/* LOAD VARIABLES */
settable(t1, 1, phi1);
settable(t2, 1, phi2);
settable(t3, 1, phi3);
settable(t4, 2, phi4);
settable(t5, 4, phi5);
settable(t6, 8, phi6);
settable(t7, 4, phi7);
/* INITIALIZE VARIABLES */
tauhn = ((jhn != 0.0) ? 1/(4*(jhn)) : 2.75e-3);
taunco = ((jnco !=0.0) ? 1/(4*(jnco)) : 16.6e-3);
taucoca = ((jcoca !=0.0) ? 1/(4*(jcoca)) : 4.5e-3);
taunca = ((jnca !=0.0) ? 1/(4*(jnca)) : 12e-3);
tauhaca = ((jhaca !=0.0) ? 1/(4*(jhaca)) : 12e-3);
taucaha = ((jcaha !=0.0) ? 1/(4*(jcaha)) : 12e-3);
taucacb = ((jcacb !=0.0) ? 1/(4*(jcacb)) : 12e-3);
if((getval("arraydim") < 1.5) || (ix==1))
first_FID = 1;
else
first_FID = 0;
/* 90 degree pulse on CO, null at Ca 118ppm away */
pw90onco = sqrt(15.0)/(4.0*118.0*dfrq);
rf90onco = (4095.0*pwC*compC)/pw90onco;
rf90onco = (int) (rf90onco + 0.5);
if(rf90onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw90onco -> rf90onco (%.0f)\n", rf90onco);
rf90onco = 4095.0;
pw90onco = pwC;
}
/* 180 degree pulse on CO, null at Ca 118ppm away */
pw180onco = sqrt(3.0)/(2.0*118.0*dfrq);
rf180onco = (4095.0*pwC*compC*2.0)/pw180onco;
rf180onco = (int) (rf180onco + 0.5);
if(rf180onco > 4095.0)
{
if(first_FID)
printf("insufficient power for pw180onco -> rf180onco (%.0f)\n", rf180onco);
rf180onco = 4095.0;
pw180onco = pwC*2.0;
}
pw180offca = pw180onco; rf180offca = rf180onco;
/* Phase incrementation for hypercomplex data */
if (phase1 == 2) /* Hypercomplex in t1 */
{
tsadd(t4, 1, 4);
}
if (phase1 == 4) /* Hypercomplex in t1 */
{
tsadd(t4, 1, 4);
}
kappa=(taunco - tauhn)/(0.5*ni2/sw2)-0.001;
if (kappa > 1.0)
{
kappa=1.0-0.01;
}
if (phase2 == 1) /* Hypercomplex in t2 */
{
icosel = -1;
tsadd(t2, 2, 4);
tsadd(t3, 2, 4);
}
else icosel = 1;
if (ix == 1)
printf("semi constant time factor %4.6f\n",kappa);
/* calculate modification to phases based on current t1 values
to achieve States-TPPI acquisition */
if (ix == 1)
d2_init = d2;
t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5);
if (t1_counter %2) /* STATES-TPPI */
{
tsadd(t4,2,4);
tsadd(t7,2,4);
}
if(ix==1)
d3_init = d3;
t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5);
if(t2_counter %2)
{
tsadd(t1,2,4);
tsadd(t7,2,4);
}
/* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */
tau1 = d2;
if (f1180[A] == 'y') tau1 += ( 1.0/(2.0*sw1));
tau1 = tau1/2.0;
/* set up so that get (-90,180) phase corrects in F2 if f2180 flag is y */
tau2 = d3;
if(f2180[A] == 'y') tau2 += ( 1.0/(2.0*sw2) );
tau2 = tau2/2.0;
/* selective H20 one-lobe sinc pulse */
tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/
tpwrs = (int) (tpwrs); /*power than a square pulse */
if (tpwrsf_d<4095.0) tpwrs=tpwrs+6; /* nominal tpwrsf_d ~ 2048 */
/* tpwrsf_d,tpwrsf_u can be used to correct for radiation damping */
/* BEGIN ACTUAL PULSE SEQUENCE */
status(A);
obspower(satpwr); /* Set power for presaturation */
decpower(pwClvl); /* Set decoupler1 power to pwClvl */
decpwrf(rf90onco);
dec2power(pwNlvl); /* Set decoupler2 power to pwNlvl */
/* Presaturation Period */
if (satmode[0] == 'y')
{
rgpulse(d1,zero,rof1,0.0);
obspower(tpwr); /* Set power for hard pulses */
}
else
{
obspower(tpwr); /* Set power for hard pulses */
delay(d1);
}
status(B);
rcvroff();
decpwrf(rf90onco); /* Set decoupler1 power to rf90onco */
sim3pulse(0.0,pw90onco,pwN,zero,zero,zero,rof1,rof1); /* 90 for 15N and 13C' */
zgradpulse(gzlvl0,gt0);
delay(gstab);
/* transfer from HN to N by INEPT */
/* shaped pulse for water flip-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,one,2.0e-6,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,zero,rof1,0.0);
zgradpulse(gzlvl0*1.3,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab); /* 1/(4JHN) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt0 - gstab); /* 1/(4JHN) */
zgradpulse(gzlvl0*1.3,gt0);
delay(gstab);
rgpulse(pw,three,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl3,gt3);
delay(gstab);
decpwrf(rf180onco); /* Set decoupler power to rf180onco */
dec2rgpulse(pwN,zero,0.0,0.0); /* 90 15N */
/* start transfer from N to CO */
delay(5.5e-3 - pwHd - POWER_DELAY - PRG_START_DELAY); /* 1/(2JHN) */
obspower(tpwrd);
rgpulse(pwHd,one,rof1,0.0);
txphase(zero);
obsprgon("waltz16", pwHd, 90.0);
xmtron();
delay(taunco - 5.5e-3 - 0.5*pw180onco); /* 1/(4JNCO) - 1/(2JHN) */
sim3pulse(0.0,pw180onco,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(taunco - 5.5e-3 - 0.5*pw180onco); /* 1/(4JNCO) - 1/(2JHN) */
/* turn proton decoupling off */
xmtroff();
obsprgoff();
rgpulse(pwHd,three,rof1,0.0);
obspower(tpwr);
/* turned proton decoupling off */
delay(5.5e-3 - PRG_STOP_DELAY - pwHd - POWER_DELAY); /* 1/(2JHN) */
/* Start in-phase filter */
if (( phase1 == 1 || phase1 == 2))
{
dec2rgpulse(pwN,one,0.0,0.0); /* 90 15N */
zgradpulse(gzlvl3*1.5,gt3);
delay(gstab);
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,one,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,one,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
delay(0.5*tauhn - gt0 - gstab); /* 1/(8JNH) */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 15N */
delay(0.5*tauhn - gt0 - gstab); /* 1/(8JNH) */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
rgpulse(2.0*pw,zero,rof1,rof1); /* 180 1H */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
delay(0.5*tauhn - gt0 -gstab); /* 1/(8JNH) */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 15N */
delay(0.5*tauhn - gt0 -gstab); /* 1/(8JNH) */
zgradpulse(gzlvl0*1.1,gt0);
delay(gstab);
rgpulse(pw,one,rof1,0.0); /* 90 1H */
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,three,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
}
/* start antiphase filter */
if (( phase1 == 3 || phase1 == 4 ))
{
dec2rgpulse(pwN,one,0.0,0.0); /* 90 15N */
zgradpulse(gzlvl3*1.5,gt3);
delay(gstab);
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_d);
shaped_pulse("H2Osinc_d",pwHs,zero,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
rgpulse(pw,zero,rof1,0.0); /* 90 1H */
zgradpulse(gzlvl0*0.9,gt0);
delay(gstab);
delay(tauhn - gt0 - gstab - 2.0*pwN); /* 1/(4JNH) */
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1); /* 180 1H and 15N */
delay(tauhn - gt0 - gstab - 2.0*pwN); /* 1/(4JNH) */
zgradpulse(gzlvl0*0.9,gt0);
delay(gstab);
rgpulse(pw,one,rof1,0.0); /* 90 1H */
/* shaped pulse WATER-FLIP-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,three,rof1,0.0);
obspower(tpwr); obspwrf(4095.0);
/* shaped pulse */
}
/* End of filter section */
zgradpulse(gzlvl3*0.9,gt3);
delay(gstab);
rgpulse(2.0*pw,zero,rof1,0.0);
decpwrf(rf90onco); /* Set decoupler power to rf90onco */
decrgpulse(pw90onco,t4,0.0,0.0); /* 90 for 13C */
/* record 13C' frequences and 13C'-15N coupling */
delay(tau1);
decpwrf(rf180offca); /* Set decoupler power to rf180offca */
simshaped_pulse("","offC3",2.0*pw,pw180offca,zero,zero,rof1,rof1); /* 180 for 1H and 13CA */
decphase(zero);
decpwrf(rf180onco);
delay(tau1);
if (lambda>0.0)
{
delay(lambda*tau1);
sim3pulse(0.0,pw180onco,2.0*pwN,zero,t5,zero,0.0,0.0);
delay(lambda*tau1);
}
else decrgpulse(pw180onco,t5,0.0,0.0);
decpwrf(rf180offca); /* Set decoupler power to rf180offca */
simshaped_pulse("","offC3",0.0,pw180offca,zero,zero,0.0,0.0); /* 180 CA */
decphase(zero);
decpwrf(rf90onco);
/* start reverse transfer from CO to N by INEPT */
decrgpulse(pw90onco,zero,0.0,0.0); /* 90 for 13C' */
zgradpulse(gzlvl3*0.7,gt3);
delay(gstab);
dec2rgpulse(pwN,t1,0.0,0.0); /* 90 for 15N */
delay((taunco - tauhn) - kappa*tau2); /* 1/4J(NCO) - 1/4J(NH) - kt2/2 */
dec2rgpulse(2.0*pwN,zero,0.0,0.0); /* 180 for 15N */
delay((1-kappa)*tau2); /* (1-k)t2/2 */
decpwrf(rf180onco);
decrgpulse(pw180onco,zero,0.0,0.0); /* 180 for 13C' */
decpwrf(rf180offca);
delay(taunco - tauhn - gt1 - gstab - pw180onco - pw180offca - 3.0*POWER_DELAY);
zgradpulse(gzlvl1,gt1);
delay(gstab);
decshaped_pulse("offC3",pw180offca,zero,0.0,0.0);
delay(tau2); /* t2/2 */
/* start TROSY transfer from N to HN */
rgpulse(pw,t2,rof1,0.0); /* 180 for 1H */
zgradpulse(gzlvl5,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab );
decpwrf(rf180onco);
sim3pulse(2.0*pw,pw180onco,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt5 - gstab );
zgradpulse(gzlvl5,gt5);
delay(gstab);
decpwrf(rf90onco);
sim3pulse(pw,pw90onco,pwN,one,t6,zero,rof1,0.0);
/* shaped pulse for water flip-back */
obspower(tpwrs); obspwrf(tpwrsf_u);
shaped_pulse("H2Osinc_u",pwHs,t2,rof1,0.0);
obspwrf(4095.0);
obspower(tpwr);
/* shaped pulse */
zgradpulse(gzlvl5*0.9,gt5);
delay(gstab);
delay(tauhn - gt5 - gstab - POWER_DELAY - pwHs);
sim3pulse(2.0*pw,0.0,2.0*pwN,zero,zero,zero,rof1,rof1);
delay(tauhn - gt5 - gstab );
decpower(dpwr);
zgradpulse(gzlvl5*0.9,gt5);
delay(gstab);
dec2rgpulse(pwN,t3,0.0,0.0); /* 90 for 15N */
dec2power(dpwr2);
delay((gt1/10.0) - pwN + gstab -POWER_DELAY);
rgpulse(2.0*pw, zero, rof1, rof1);
zgradpulse(gzlvl2*icosel,gt1/10.0);
delay(gstab);
/* acquire data */
status(C);
setreceiver(t7);
}
pulsesequence()
{
/* DECLARE AND LOAD VARIABLES */
char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */
f2180[MAXSTR], /* Flag to start t2 @ halfdwell */
H2Opurge[MAXSTR], stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */
STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */
int t1_counter, /* used for states tppi in t1 */
t2_counter; /* used for states tppi in t2 */
double tau1, /* t1 delay */
BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */
BPpwrlimits, /* =0 for no limit, =1 for limit */
tau2, /* t2 delay */
ni = getval("ni"), ni2 = getval("ni2"),
stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */
rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */
taua = getval("taua"), /* time delays for CH coupling evolution */
taub = getval("taub"), tauc = getval("tauc"),
/* string parameter stCdec calls stud decoupling waveform from your shapelib. */
studlvl, /* coarse power for STUD+ decoupling */
pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */
pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */
rf0, /* maximum fine power when using pwC pulses */
/* p_d is used to calculate the isotropic mixing on the Cab region */
p_d, /* 50 degree pulse for DIPSI-3 at rfd */
rfd, /* fine power for 9.0 kHz rf at 600MHz */
ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */
spinlock = getval("spinlock"), /* DIPSI-3 Field Strength in Hz */
/* the following pulse length for the SLP pulse is automatically calculated */
/* by the macro "hcch_tocsy". The SLP pulse shape,"offC10" is called */
/* directly from your shapelib. */
pwC10 = getval("pwC10"), /* 180 degree selective sinc pulse on CO(174ppm) */
rf7, /* fine power for the pwC10 ("offC10") pulse */
compC = getval("compC"), /* adjustment for C13 amplifier compression */
pwNlvl = getval("pwNlvl"), /* power for N15 pulses */
pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */
sw1 = getval("sw1"), sw2 = getval("sw2"),
gt0 = getval("gt0"), /* other gradients */
gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"),
gt7 = getval("gt7"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"),
gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"),
gzlvl7 = getval("gzlvl7");
getstr("f1180", f1180);
getstr("f2180", f2180);
getstr("H2Opurge", H2Opurge);
getstr("STUD", STUD);
/* 80 ppm STUD+ decoupling */
strcpy(stCdec, "stCdec80");
studlvl = pwClvl + 20.0 * log10(compC * pwC * 4.0 * rf80);
studlvl = (int) (studlvl + 0.5);
P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1);
P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1);
/* LOAD PHASE TABLE */
settable(t3, 2, phi3);
settable(t5, 4, phi5);
settable(t9, 8, phi9);
settable(t11, 8, rec);
/* INITIALIZE VARIABLES */
if (BPpwrlimits > 0.5)
{
if (spinlock > BPdpwrspinlock)
{
spinlock = BPdpwrspinlock;
printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)");
psg_abort(1);
}
}
if (dpwrf < 4095)
{
printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse");
psg_abort(1);
}
if ((pwC > (25.0e-6 * 600.0 / sfrq)) && (ncyc > 0.0))
{
printf("Increase pwClvl so that pwC < 25*600/sfrq");
psg_abort(1);
}
/* maximum fine power for pwC pulses */
rf0 = 4095.0;
/* 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */
rf7 = (compC * 4095.0 * pwC * 2.0 * 1.65) / pwC10; /* needs 1.65 times more */
rf7 = (int) (rf7 + 0.5); /* power than a square pulse */
if (spinlock < 1000.0)
{
printf("Spinlock seems too low. Please check spinlock value ! ");
psg_abort(1);
}
/* dipsi-3 spinlock on CbCa */
p_d = (5.0) / (9.0 * 4.0 * spinlock); /* DIPSI-3 */
rfd = (compC * 4095.0 * pwC * 5.0) / (p_d * 9.0);
rfd = (int) (rfd + 0.5);
ncyc = (int) (ncyc + 0.5);
/*************************For Ultra-High Field Probes***************************/
if (sfrq>590.0)
{
if (ncyc>2)
{
if (pwC>15)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 2)
{
if (pwC>15)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
else
{
if (ncyc == 1)
{
if (pwC>15)
{
if (rfd > 2400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>14)
{
if (rfd > 2200)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>13)
{
if (rfd > 2000)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>12)
{
if (rfd > 1800)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (pwC>11)
{
if (rfd > 1600)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
else
{
if (rfd > 1400)
{
printf("spinlock too large. Lower value for probe protection");
psg_abort(1);
}
}
}
}
}
}
}
}
}
}
/*********************End: For Ultra-High Field Probes***************************/
/* CHECK VALIDITY OF PARAMETER RANGES */
if ((dm[A] == 'y' || dm[B] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nny' or 'nnn' ");
psg_abort(1);
}
if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y'))
{
printf("incorrect dec2 decoupler flags! Should be 'nnn' ");
psg_abort(1);
}
if ((dm3[A] == 'y' || dm3[C] == 'y'))
{
printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' ");
psg_abort(1);
}
if (dpwr > 52)
{
printf("don't fry the probe, DPWR too large! ");
psg_abort(1);
}
if (pw > 80.0e-6)
{
printf("dont fry the probe, pw too high ! ");
psg_abort(1);
}
if (pwN > 100.0e-6)
{
printf("dont fry the probe, pwN too high ! ");
psg_abort(1);
}
/* PHASES AND INCREMENTED TIMES */
/* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */
if (phase1 == 2)
tsadd(t3, 1, 4);
if (phase2 == 2)
tsadd(t5, 1, 4);
/* C13 TIME INCREMENTATION and set up f1180 */
/* Set up f1180 */
tau1 = d2;
if (f1180[A] == 'y')
{
tau1 += (1.0 / (2.0 * sw1));
if (tau1 < 0.2e-6)
tau1 = 0.0;
}
tau1 = tau1 / 2.0;
/* Set up f2180 */
tau2 = d3;
if (f2180[A] == 'y')
{
tau2 += (1.0 / (2.0 * sw2));
if (tau2 < 0.2e-6)
tau2 = 0.0;
}
tau2 = tau2 / 2.0;
/* Calculate modifications to phases for States-TPPI acquisition */
if (ix == 1)
d2_init = d2;
t1_counter = (int) ((d2 - d2_init) * sw1 + 0.5);
if (t1_counter % 2)
{
tsadd(t3, 2, 4);
tsadd(t11, 2, 4);
}
if (ix == 1)
d3_init = d3;
t2_counter = (int) ((d3 - d3_init) * sw2 + 0.5);
if (t2_counter % 2)
{
tsadd(t5, 2, 4);
tsadd(t11, 2, 4);
}
/* BEGIN PULSE SEQUENCE */
status(A);
if (dm3[B] == 'y')
lk_sample();
if ((ni / sw1 - d2) > 0)
delay(ni / sw1 - d2); /*decreases as t1 increases for const.heating */
if ((ni2 / sw2 - d3) > 0)
delay(ni2 / sw2 - d3); /*decreases as t2 increases for const.heating */
delay(d1);
if (dm3[B] == 'y')
{
lk_hold();
lk_sampling_off();
} /*freezes z0 correction, stops lock pulsing */
rcvroff();
obspower(tpwr);
decpower(pwClvl);
dec2power(pwNlvl);
decpwrf(rf0);
obsoffset(tof);
txphase(t3);
delay(1.0e-5);
decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization */
zgradpulse(gzlvl0, 0.5e-3);
delay(1.0e-4);
decrgpulse(pwC, one, 0.0, 0.0);
zgradpulse(0.7 * gzlvl0, 0.5e-3);
delay(5.0e-4);
if (dm3[B] == 'y') /* begins optional 2H decoupling */
{
dec3rgpulse(1 / dmf3, one, 10.0e-6, 2.0e-6);
dec3unblank();
dec3phase(zero);
delay(2.0e-6);
setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3);
}
rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */
zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */
decphase(zero);
delay(taua + tau1 - gt0 - 2.0 * GRADIENT_DELAY - 2.0 * pwC);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
txphase(zero);
delay(tau1);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
zgradpulse(gzlvl0, gt0);
txphase(one);
decphase(t5);
delay(taua - gt0);
rgpulse(pw, one, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
delay(2.0e-4);
decrgpulse(pwC, t5, 0.0, 0.0);
delay(tau2);
dec2rgpulse(2.0 * pwN, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
decphase(zero);
decpwrf(rf7);
delay(taub - 2.0 * pwN - gt4 - 2.0 * GRADIENT_DELAY);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
txphase(zero);
decpwrf(rf0);
delay(taub - 2.0 * pw);
rgpulse(2.0 * pw, zero, 0.0, 0.0);
delay(tau2);
decrgpulse(2.0 * pwC, zero, 0.0, 0.0);
decpwrf(rf7);
delay(taub);
decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0);
zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */
delay(taub - gt4 - 2.0 * GRADIENT_DELAY);
decpwrf(rfd);
decrgpulse(1.0e-3, zero, 0.0, 0.0);
if (ncyc>0)
{
initval(ncyc, v2);
starthardloop(v2);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(5.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.5 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.6 * p_d, one, 0.0, 0.0);
decrgpulse(7.2 * p_d, three, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.4 * p_d, three, 0.0, 0.0);
decrgpulse(6.8 * p_d, one, 0.0, 0.0);
decrgpulse(7.0 * p_d, three, 0.0, 0.0);
decrgpulse(5.2 * p_d, one, 0.0, 0.0);
decrgpulse(5.4 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.5 * p_d, three, 0.0, 0.0);
decrgpulse(7.3 * p_d, one, 0.0, 0.0);
decrgpulse(5.1 * p_d, three, 0.0, 0.0);
decrgpulse(7.9 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
decrgpulse(5.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.5 * p_d, three, 0.0, 0.0);
decrgpulse(0.6 * p_d, one, 0.0, 0.0);
decrgpulse(4.6 * p_d, three, 0.0, 0.0);
decrgpulse(7.2 * p_d, one, 0.0, 0.0);
decrgpulse(4.9 * p_d, three, 0.0, 0.0);
decrgpulse(7.4 * p_d, one, 0.0, 0.0);
decrgpulse(6.8 * p_d, three, 0.0, 0.0);
decrgpulse(7.0 * p_d, one, 0.0, 0.0);
decrgpulse(5.2 * p_d, three, 0.0, 0.0);
decrgpulse(5.4 * p_d, one, 0.0, 0.0);
decrgpulse(0.6 * p_d, three, 0.0, 0.0);
decrgpulse(4.5 * p_d, one, 0.0, 0.0);
decrgpulse(7.3 * p_d, three, 0.0, 0.0);
decrgpulse(5.1 * p_d, one, 0.0, 0.0);
decrgpulse(7.9 * p_d, three, 0.0, 0.0);
endhardloop();
}
decrgpulse(9.0 * p_d / 5.0, t9, 2.0e-6, 0.0);
if (H2Opurge[A] == 'y')
{
obspwrf(1000);
rgpulse(900 * pw, zero, 0.0, 0.0);
rgpulse(500 * pw, one, 0.0, 0.0);
obspwrf(4095.0);
}
zgradpulse(gzlvl7, gt7);
decpwrf(rf0);
delay(50.0e-6);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl7, gt7 / 1.6);
decrgpulse(pwC, three, 100.0e-6, 0.0);
zgradpulse(gzlvl5, gt5);
decphase(zero);
delay(tauc - gt5);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 0.0);
zgradpulse(gzlvl5, gt5);
delay(tauc - gt5);
decrgpulse(pwC, zero, 0.0, 0.0);
zgradpulse(gzlvl3, gt3);
if (dm3[B] == 'y') /* turns off 2H decoupling */
{
setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3);
dec3rgpulse(1 / dmf3, three, 2.0e-6, 2.0e-6);
dec3blank();
lk_autotrig(); /* resumes lock pulsing */
}
delay(2.0e-4);
rgpulse(pw, zero, 0.0, 0.0);
zgradpulse(gzlvl6, gt5);
delay(taua - gt5 + rof1);
simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, rof1);
zgradpulse(gzlvl6, gt5);
if (STUD[A] == 'y')
decpower(studlvl);
else
decpower(dpwr);
dec2power(dpwr2);
delay(taua - gt5 - 2.0 * POWER_DELAY);
rgpulse(pw, zero, 0.0, rof2);
rcvron();
if (dm3[B] == 'y')
lk_sample();
setreceiver(t11);
if ((STUD[A] == 'y') && (dm[C] == 'y'))
{
decprgon(stCdec, 1.0 / stdmf, 1.0);
decon();
if (dm2[C] == 'y')
{
setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2);
}
}
else
status(C);
}
