pulsesequence() { /* DECLARE AND LOAD VARIABLES */ int t1_counter; /* used for states tppi in t1 */ double tau1, /* t1 delay */ TC = getval("TC"), /* Constant delay 1/(JCC) ~ 13.5 ms */ mix = getval("mix"), /* TOCSY mixing time */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rf0, /* maximum fine power when using pwC pulses */ /* 90 degree pulse at Cab (46ppm), first off-resonance null at CO (174ppm) */ pwC1, /* 90 degree pulse length on C13 at rf1 */ rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */ /* 180 degree pulse at Ca (46ppm), first off-resonance null at CO(174ppm) */ pwC2, /* 180 degree pulse length at rf2 */ rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ sw1 = getval("sw1"), gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"), gt2 = getval("gt2"), gzlvl2 = getval("gzlvl2"), gstab = getval("gstab"), ppm, co_ofs = getval("co_ofs"), /* offset for C' */ co_bw = getval("co_bw"), /* bandwidth for C' */ copwr = getval("copwr"), /* power for C' decoupling. Get from CO_dec.DEC*/ codmf = getval("codmf"), /* dmf for C' decoupling. Get from CO_dec.DEC */ codres = getval("codres"), /* dres for C' decoupling. Get from CO_dec.DEC */ mixbw, /* band width for mixing shape */ mixpwr = getval("mixpwr"), /* power for CC mixing. Get from ccmix.DEC*/ mixdmf= getval("mixdmf"), /* dmf for CC decoupling. Get from ccmix.DEC */ mixdres = getval("mixdres"); /* dres for CC decoupling. Get from ccmix.DEC */ /* LOAD PHASE TABLE */ settable(t1,2,phi1); settable(t2,1,phi2); settable(t3,1,phi3); settable(t12,2,rec); setautocal(); /* activate auto-calibration */ /* INITIALIZE VARIABLES */ /* maximum fine power for pwC pulses */ rf0 = 4095.0; /* 90 degree pulse on Cab, null at CO 128ppm away */ pwC1 = sqrt(15.0)/(4.0*128.0*sfrq); rf1 = (compC*4095.0*pwC)/pwC1; rf1 = (int) (rf1 + 0.5); /* 180 degree pulse on Cab, null at CO 128ppm away */ pwC2 = sqrt(3.0)/(2.0*128.0*sfrq); rf2 = (4095.0*compC*pwC*2.0)/pwC2; rf2 = (int) (rf2 + 0.5); if( rf2 > 4295 ) { printf("increase pwClvl"); psg_abort(1);} if(( rf2 > 4095 ) && (rf2 <4296)) rf2=4095; /* CHECK VALIDITY OF PARAMETER RANGES */ if ( 0.5*ni*1/(sw1) > TC) { printf(" ni is too big. Make ni equal to %d or less.\n", ((int)((TC)*2.0*sw1))); psg_abort(1);} /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (phase1 == 2) tsadd(t1,1,4); tau1 = d2; tau1 = tau1/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t12,2,4); } if (autocal[0] == 'y') { if(FIRST_FID) { ppm = getval("sfrq"); ofs_check(C13ofs); co_ofs = (C13ofs+118.0)*ppm; co_bw = 20*ppm; CO_dec = pbox_Dsh("CO_dec", "SEDUCE1", co_bw, co_ofs, pwC*compC, pwClvl); copwr = CO_dec.pwr; codmf = CO_dec.dmf; codres = CO_dec.dres; mixbw = sw1; mix_seq = pbox_Dsh("mix_seq", "FLOPSY8", mixbw, 0.0, pwC*compC, pwClvl); mixpwr = mix_seq.pwr; mixdmf = mix_seq.dmf; mixdres = mix_seq.dres; } } /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); if ( dm3[B] == 'y' ) { lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/ rcvroff(); obspower(pwClvl); decpower(tpwr); dec2power(dpwr2); dec3power(dpwr3); obspwrf(rf1); /*fine power for Cab 90 degree pulse */ obsoffset(tof); /*13C carrier at 46 ppm */ txphase(zero); delay(1.0e-5); status(B); rgpulse(pwC1, t1, 0.0,0.0); /* xxxxxxxxxxxxxxxxxxxxxx 13Cab Constant Time Evolution xxxxxxxxxxxxxxxxxx */ obspower(copwr); obspwrf(rf0); txphase(zero); obsunblank(); xmtron(); obsprgon("CO_dec",1.0/codmf,codres); if ( dm3[B] == 'y' ) /* turns on 2H decoupling */ { dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6); dec3unblank(); dec3phase(zero); delay(2.0e-6); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); delay(TC - tau1 - pwC2/2 - 1/dmf3); } else delay(TC - tau1 - pwC2/2); obsprgoff(); xmtroff(); obsblank(); obspower(pwClvl); obspwrf(rf2); rgpulse(pwC2, zero, 0.0, 0.0); obspower(copwr); obspwrf(rf0); txphase(zero); obsunblank(); xmtron(); obsprgon("CO_dec",1.0/codmf,codres); if ( dm3[B] == 'y' ) /* turns off 2H decoupling */ { delay(TC + tau1 - pwC2/2 - 1/dmf3); setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3); dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6); dec3blank(); lk_autotrig(); /* resumes lock pulsing */ } else delay(TC + tau1 - pwC2/2); obsprgoff(); xmtroff(); obsblank(); obspower(pwClvl); obspwrf(rf1); rgpulse(pwC1,t2,0.0,0.0); status(C); zgradpulse(gzlvl1, gt1); delay(gstab); /* xxxxxxxxxxxxxxxxxxxxxxxxxxxx FLOPSY 8 Spin lock for mixing xxxxxxxxxxxxxxxxxxxx */ obspower(mixpwr); obspwrf(rf0); txphase(zero); obsunblank(); xmtron(); obsprgon("mix_seq",1.0/mixdmf,mixdres); delay(mix-gt1-gt2); obsprgoff(); xmtroff(); obsblank(); obspower(pwClvl); obspwrf(rf1); zgradpulse(gzlvl2,gt2); delay(gstab); rgpulse(pwC1,t3,0.0,rof2); getelem(t3,ct,v3); add(v3,one,v3); obspower(pwClvl); obspwrf(rf0); delay(350e-6-rof2); rgpulse(pwC*2.0,v3,0.0,0.0); delay(350e-6); status(D); setreceiver(t12); }
pulsesequence() { int phase, t1_counter; char C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1 */ TROSY[MAXSTR], wtg3919[MAXSTR]; double tauxh, tau1, gt2, gt1, gztm, mix, pw180, pw135, pw120, pw110, p1lvl, gzlvl1, cycles, pwNt = 0.0, /* pulse only active in the TROSY option */ gsign = 1.0, gzlvl3=getval("gzlvl3"), gt3=getval("gt3"), JNH = getval("JNH"), pwN = getval("pwN"), pwNlvl = getval("pwNlvl"), pwHs, tpwrs=0.0, /* H1 90 degree pulse length at tpwrs */ compH = getval("compH"), 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 */ /* temporary Pbox parameters */ bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ compC = getval("compC"); /* adjustment for C13 amplifier compr-n */ gztm=getval("gztm"); gt2=getval("gt2"); gt1= getval("gt1"); mix=getval("mix"); phase = (int) (getval("phase") + 0.5); sw1 = getval("sw1"); pw180 = getval("pw180"); gzlvl1 = getval("gzlvl1"); /* INITIALIZE VARIABLES */ pw135 = pw180 / 180.0 * 135.0 ; pw120 = pw180 / 180.0 * 120.0 ; pw110 = pw180 / 180.0 * 110.0 ; p1lvl = tpwr -20*log10(pw180/(compH*2.0*pw)); p1lvl = (int)(p1lvl + 0.5); cycles = mix / (730.0/180.0 * pw180) - 8.0; initval(cycles, v10); /* mixing time cycles */ getstr("C13refoc",C13refoc); getstr("TROSY",TROSY); getstr("wtg3919",wtg3919); 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); } } } 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("stC200A", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); C13ofs = 100.0; } ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } rfst = stC200.pwrf; } /* selective H20 one-lobe sinc pulse needs 1.69 */ pwHs = getval("pwHs"); /* 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); /* 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; /* 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, 16, 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); delay(d1); status(B); /* slective excitation of water */ rgpulse(pw, zero, rof1, rof1); zgradpulse(gzlvl1,gt1); obspower(tpwrs+6); /* make it a 180 inversion pulse */ shaped_pulse("H2Osinc", pwHs, zero, rof1, 0.0); obspower(tpwr); zgradpulse(gzlvl1,gt1); /* CLEANEX-PM spin-lock */ if (cycles > 1.5000) { obspower(p1lvl); txphase(zero); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm/4.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm/2.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm/4.0*3.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm); starthardloop(v10); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); endhardloop(); rgradient('z',gztm/4.0*3.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm/2.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z',gztm/4.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); rgradient('z', 0.0); rgpulse(pw135, zero, 0.0, 0.0); rgpulse(pw120, two, 0.0, 0.0); rgpulse(pw110, zero, 0.0, 0.0); rgpulse(pw110, two, 0.0, 0.0); rgpulse(pw120, zero, 0.0, 0.0); rgpulse(pw135, two, 0.0, 0.0); obspower(tpwr); } /* ....................................... */ 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*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("stC200A", 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(0.3*gzlvl3,gt3); delay(tauxh-gt3 ); sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1); zgradpulse(0.3*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("", "stC200A", 2.0*pw, 1.0e-3, t4, zero, 0.0, 0.0); dec2phase(t3); delay(tau1 - 0.5e-3 - WFG2_STOP_DELAY); } else { tau1 -= pw; if (tau1 < 0.0) tau1 = 0.0; 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); 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(gzlvl3,gt3); delay(tauxh-gt3-pwHs-rof1-pwNt-POWER_DELAY); dec2rgpulse(pwNt, zero, rof1, rof1); dec2power(dpwr2); status(C); setreceiver(t5); }
pulsesequence() { char sel_flg[MAXSTR], autocal[MAXSTR], glyshp[MAXSTR]; int icosel, t1_counter, ni = getval("ni"); double d2_init=0.0, tau1, tau2, tau3, glypwr,glypwrf, /* Power levels for Cgly selective 90 */ pwgly, /* Pulse width for Cgly selective 90 */ waltzB1 = getval("waltzB1"), /* 1H decoupling strength (in Hz) */ timeTN = getval("timeTN"), /* constant time for 15N evolution */ tauCaCb = getval("tauCaCb"), tauNCa = getval("tauNCa"), tauNCo = getval("tauNCo"), tauCaCo = getval("tauCaCo"), compH = getval("compH"), /* adjustment for H1 amplifier compression */ tpwrs, /* power for the pwHs ("H2Osinc") pulse */ bw,ppm, pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ compC = getval("compC"), /* amplifier compression 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 */ dpwr2 = getval("dpwr2"), /* power for N15 decoupling */ pwCa90, /* length of square 90 on Ca */ pwCa180, pwCab90, pwCab180, phshift, /* phase shift induced on Ca by 180 on CO in middle of t1 */ pwCO180, /* length of 180 on CO */ pwS = getval("pwS"), /* used to change 180 on CO in t1 for 1D calibrations */ pwZ, /* the largest of pwCO180 and 2.0*pwN */ pwZ1, /* the largest of pwCO180 and 2.0*pwN for 1D experiments */ sw1 = getval("sw1"), swCb = getval("swCb"), swCa = getval("swCa"), swN = getval("swN"), swTilt, /* This is the sweep width of the tilt vector */ cos_N, cos_Ca, cos_Cb, angle_N, angle_Ca, angle_Cb, /* angle_N is calculated automatically */ 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"), gt10= getval("gt10"), gzlvl10= getval("gzlvl10"), gt11= getval("gt11"), gzlvl11= getval("gzlvl11"), gt12= getval("gt12"), gzlvl12= getval("gzlvl12"); angle_N = 0; glypwr = getval("glypwr"); pwgly = getval("pwgly"); tau1 = 0; tau2 = 0; tau3 = 0; cos_N = 0; cos_Cb = 0; cos_Ca = 0; getstr("autocal", autocal); getstr("glyshp", glyshp); getstr("sel_flg",sel_flg); pwHs = getval("pwHs"); /* H1 90 degree pulse length at tpwrs */ /* LOAD PHASE TABLE */ settable(t2,1,phy); settable(t3,2,phi3); settable(t4,1,phx); settable(t5,4,phi5); settable(t8,1,phy); settable(t9,8,phi9); settable(t10,1,phx); settable(t11,1,phy); settable(t12,4,rec); /* INITIALIZE VARIABLES */ kappa = 5.4e-3; lambda = 2.4e-3; /* 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 */ pwHs = 1.7e-3*500.0/sfrq; widthHd = 2.861*(waltzB1/sfrq); /* bandwidth of H1 WALTZ16 decoupling in ppm */ pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */ /* get calculated pulse lengths of shaped C13 pulses */ pwCa90 = c13pulsepw("ca", "co", "square", 90.0); pwCa180 = c13pulsepw("ca", "co", "square", 180.0); pwCO180 = c13pulsepw("co", "cab", "sinc", 180.0); pwCab90 = c13pulsepw("cab","co", "square", 90.0); pwCab180= c13pulsepw("cab","co", "square", 180.0); /* the 180 pulse on CO at the middle of t1 */ if (pwCO180 > 2.0*pwN) pwZ = pwCO180; else pwZ = 2.0*pwN; if ((pwS==0.0) && (pwCO180>2.0*pwN)) pwZ1=pwCO180-2.0*pwN; else pwZ1=0.0; if ( ni > 1 ) pwS = 180.0; if ( pwS > 0 ) phshift = 320.0; else phshift = 0.0; /* CHECK VALIDITY OF PARAMETER RANGES */ 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);} /* PHASES AND INCREMENTED TIMES */ /* Set up angles and phases */ angle_Cb=getval("angle_Cb"); cos_Cb=cos(PI*angle_Cb/180.0); angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0); if ( (angle_Cb < 0) || (angle_Cb > 90) ) { printf ("angle_Cb 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_Cb*cos_Cb + cos_Ca*cos_Ca) ) { printf ("Impossible angles.\n"); psg_abort(1); } else { cos_N=sqrt(1.0- (cos_Cb*cos_Cb + cos_Ca*cos_Ca)); angle_N = 180.0*acos(cos_N)/PI; } swTilt=swCb*cos_Cb + swCa*cos_Ca + swN*cos_N; if (ix ==1) { printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n"); printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt); printf ("Angle_Cb:\t%6.2f\n", angle_Cb); printf ("Angle_Ca:\t%6.2f\n", angle_Ca); printf ("Angle_N :\t%6.2f\n", angle_N ); } /* Set up hyper complex */ /* sw1 is used as symbolic index */ if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); } if (ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); } if (phase1 == 1) { ;} /* CC */ else if (phase1 == 2) { tsadd(t3,3,4); tsadd(t2,3,4);} /* SC */ else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */ else if (phase1 == 4) { tsadd(t3,3,4); tsadd(t2,3,4); tsadd(t5,1,4);} /* SS */ else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); } if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */ else icosel = -1; tau1 = 1.0*t1_counter*cos_Cb/swTilt; tau2 = 1.0*t1_counter*cos_Ca/swTilt; tau3 = 1.0*t1_counter*cos_N/swTilt; tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0; /* CHECK VALIDITY OF PARAMETER RANGES */ if (0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY) { printf(" ni is too big. Make ni equal to %d or less.\n", ((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);} /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); if ( dm3[B] == 'y' ) lk_hold(); rcvroff(); obsoffset(tof); obspower(tpwr); obspwrf(4095.0); set_c13offset("cab"); decpower(pwClvl); decpwrf(4095.0); dec2power(pwNlvl); txphase(zero); delay(1.0e-5); decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(gzlvl0, gt0); delay(gstab); decrgpulse(pwC, one, 0.0, 0.0); zgradpulse(0.7*gzlvl0, gt0); delay(gstab); txphase(one); delay(1.0e-5); shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0); txphase(zero); decphase(zero); dec2phase(zero); delay(2.0e-6); /* pulse sequence starts */ rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */ dec2phase(zero); zgradpulse(gzlvl3, gt3); delay(lambda - gt3); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); if (sel_flg[A] == 'n') txphase(three); else txphase(one); zgradpulse(gzlvl3, gt3); delay(lambda - gt3); if (sel_flg[A] == 'n') { rgpulse(pw, three, 0.0, 0.0); txphase(zero); zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */ delay(gstab); /* Begin of N to Ca transfer */ dec2rgpulse(pwN, one, 0.0, 0.0); decphase(zero); dec2phase(zero); delay(tauNCo - pwCO180/2 - 2.0e-6 - WFG3_START_DELAY); } else /* active suppresion */ { rgpulse(pw,one,2.0e-6,0.0); initval(1.0,v6); dec2stepsize(45.0); dcplr2phase(v6); zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */ delay(gstab); /* Begin of N to Ca transfer */ dec2rgpulse(pwN,one,0.0,0.0); dcplr2phase(zero); /* SAPS_DELAY */ 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(tauNCo - pwCO180/2 - 1.34e-3 - 2.0*pw - WFG3_START_DELAY); } /* Begin transfer from HzNz to N(i)zC'(i-1)zCa(i)zCa(i-1)z */ c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); delay(tauNCa - tauNCo - pwCO180/2 - WFG3_START_DELAY - WFG3_STOP_DELAY - 2.0e-6); /* WFG3_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6); delay(tauNCa - 2.0e-6 - WFG3_STOP_DELAY); dec2rgpulse(pwN, zero, 0.0, 0.0); /* End transfer from HzNz to N(i)zC'(i-1)zCa(i)zCa(i-1)z */ zgradpulse(gzlvl5, gt5); delay(gstab); /* Begin removal of Ca(i-1) */ c13pulse("co", "cab", "sinc", 90.0, zero, 2.0e-6, 2.0e-6); zgradpulse(gzlvl6, gt6); delay(tauCaCo - gt6 - pwCab180 - pwCO180/2 - 6.0e-6); c13pulse("cab","co", "square", 180.0, zero, 2.0e-6, 2.0e-6); c13pulse("co","cab", "sinc", 180.0, zero, 2.0e-6, 2.0e-6); zgradpulse(gzlvl6, gt6); delay(tauCaCo - gt6 - pwCab180 - pwCO180/2 - 6.0e-6); c13pulse("cab","co", "square", 180.0, zero, 2.0e-6, 2.0e-6); c13pulse("co", "cab", "sinc", 90.0, one, 2.0e-6, 2.0e-6); /* End removal of Ca(i-1) */ /* xx Selective glycine pulse xx */ set_c13offset("gly"); setautocal(); if (autocal[A] == 'y') { if(FIRST_FID) { ppm = getval("dfrq"); bw=9*ppm; gly90 = pbox_make("gly90","eburp1",bw,0.0,compC*pwC,pwClvl); /* Gly selective 90 with null at 50ppm */ } pwgly=gly90.pw; glypwr=gly90.pwr; glypwrf=gly90.pwrf; decpwrf(glypwrf); decpower(glypwr); decshaped_pulse("gly90",pwgly,zero,2.0e-6,0.0); } else { decpwrf(4095.0); decpower(glypwr); decshaped_pulse(glyshp,pwgly,zero,2.0e-6,0.0); } /* xx End of glycine selecton xx */ zgradpulse(gzlvl7, gt7); set_c13offset("cab"); delay(gstab); decphase(t3); if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */ { dec3unblank(); dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6); dec3unblank(); dec3phase(zero); delay(2.0e-6); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); } /* ========== Ca to Cb transfer =========== */ c13pulse("cab", "co", "square", 90.0, t3, 2.0e-6, 2.0e-6); decphase(zero); delay(tauCaCb - 4.0e-6); c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 2.0e-6); decphase(t2); delay(tauCaCb - 4.0e-6 ); /* xxxxxxxxxxxxxxxxxxxxxx 13Cb EVOLUTION xxxxxxxxxxxxxxxxxx */ c13pulse("cab", "co", "square", 90.0, t2, 2.0e-6, 0.0); /* pwCa90 */ decphase(zero); if ((ni>1.0) && (tau1>0.0)) { if (tau1 - 2.0*pwCab90/PI - WFG_START_DELAY - pwN - 2.0e-6 - PWRF_DELAY - POWER_DELAY > 0.0) { delay(tau1 - 2.0*pwCab90/PI - pwN - 2.0e-6 ); dec2rgpulse(2.0*pwN, zero, 2.0e-6, 0.0); delay(tau1 - 2.0*pwCab90/PI - pwN - WFG_START_DELAY - 2.0e-6 - PWRF_DELAY - POWER_DELAY); } else { tsadd(t12,2,4); delay(2.0*tau1); delay(10.0e-6); /* WFG_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); delay(10.0e-6); } } else { tsadd(t12,2,4); delay(10.0e-6); /* WFG_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); delay(10.0e-6); } decphase(one); c13pulse("cab", "co", "square", 90.0, one, 2.0e-6, 0.0); /* pwCa90 */ /* xxxxxxxxxxx End of 13Cb EVOLUTION - Start 13Ca EVOLUTION xxxxxxxxxxxx */ decphase(zero); delay(tau2); sim3_c13pulse("", "co", "cab", "sinc", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); decphase(zero); delay(tauCaCb - 2*pwN - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY - 2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 ); c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0); delay(tauCaCb- tau2 - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY -2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6); c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); decphase(t5); c13pulse("cab", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* xxxxxxxxxxxxxxxxxxx End of 13Ca EVOLUTION xxxxxxxxxxxxxxxxxx */ if ( dm3[B] == 'y' ) /* turns off 2H decoupling */ { dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6); dec3blank(); setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3); dec3blank(); } /* xxxxxxxxxxxxxxxxxxxx N15 EVOLUTION & SE TRAIN xxxxxxxxxxxxxxxxxxxxxxx */ dcplrphase(zero); dec2phase(t8); zgradpulse(gzlvl10, gt10); delay(gstab); dec2rgpulse(pwN, t8, 2.0e-6, 0.0); c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/ decphase(zero); dec2phase(t9); delay(timeTN - pwCO180 - WFG3_START_DELAY - tau3 - 4.0e-6); /* WFG3_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, t9, 2.0e-6, 2.0e-6); c13pulse("co", "cab", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/ dec2phase(t10); txphase(t4); delay(timeTN - pwCO180 + tau3 - 500.0e-6 - gt1 - 2.0*GRADIENT_DELAY- WFG_START_DELAY - WFG_STOP_DELAY ); delay(0.2e-6); zgradpulse(gzlvl1, gt1); delay(gstab); sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl11, gt11); delay(lambda - 1.3*pwN - gt11); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl11, gt11); txphase(one); dec2phase(t11); delay(lambda - 1.3*pwN - gt11); sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl12, gt12); delay(lambda - 1.3*pwN - gt12); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); dec2phase(zero); zgradpulse(gzlvl12, gt12); delay(lambda - 1.3*pwN - gt12); sim3pulse(pw, 0.0, pwN, zero, zero, zero, 0.0, 0.0); delay((gt1/10.0) + 1.0e-4 + 2.0*GRADIENT_DELAY + POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); dec2power(dpwr2); /* POWER_DELAY */ zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */ statusdelay(C, 1.0e-4 ); setreceiver(t12); if (dm3[B]=='y') lk_sample(); }
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() { char f1180[MAXSTR], f2180[MAXSTR], mag_flg[MAXSTR]; /* y for magic angle, n for z-gradient only */ int icosel, t1_counter, t2_counter; double ni2, ratio, /* used to adjust t1 semi-constant time increment */ tau1, tau2, taua, /* ~ 1/4JCH = 1.5 ms - 1.7 ms] */ taub, /* ~ 3.3 ms */ bigTC, /* ~ 8 ms */ bigTCO, /* ~ 6 ms */ bigTN, /* ~ 12 ms */ tauc, /* ~ 5.4 ms */ taud, /* ~ 2.3 ms */ gstab, /* ~0.2 ms, gradient recovery time */ pwClvl, /* High power level for carbon on channel 2 */ pwC, /* C13 90 degree pulse length at pwClvl */ compH, /* Compression factor for H1 on channel 1 */ compC, /* Compression factor for C13 on channel 2 */ pwNlvl, /* Power level for Nitrogen on channel 3 */ pwN, /* N15 90 degree pulse lenght at pwNlvl */ maxpwCN, bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */ pwCa90, /*90 "offC13" pulse at Ca(56ppm) xmtr at CO(174ppm) */ pwCa180, /*180 "offC17" pulse at Ca(56ppm) xmtr at CO(174ppm) */ pwCO90, /* 90 "offC6" pulse at CO(174ppm) xmtr at CO(174ppm)*/ pwCO180, /* 180 "offC8" pulse at CO(174ppm) xmtr at CO(174ppm)*/ pwCab180, /* 180 "offC27" pulse at Cab(46ppm) xmtr at CO(174ppm)*/ tpwrHd, /* Power level for proton decoupling on channel 1 */ pwHd, /* H1 90 degree pulse lenth at tpwrHd. */ waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */ phi_CO, /* phase correction for Bloch-Siegert effect on CO */ phi_Ca, /* phase correction for Bloch-Siegert effect on Ca */ gt1, gt2, gt3, gt4, gt5, gt6, gt7, gt0, gzlvl1, gzlvl2, gzlvl3, gzlvl4, gzlvl5, gzlvl6, /* N15 selection gradient level in DAC units */ gzlvl7, gzlvl0, /* H1 gradient level in DAC units */ gzcal, /* gradient calibration (gcal) */ dfCa180, dfCab180, dfC90, dfCa90, dfCO180; /* LOAD VARIABLES */ getstr("f1180",f1180); getstr("f2180",f2180); getstr("mag_flg", mag_flg); gzcal = getval("gzcal"); ni2 = getval("ni2"); taua = getval("taua"); taub = getval("taub"); tauc = getval("tauc"); bigTC = getval("bigTC"); bigTCO = getval("bigTCO"); bigTN = getval("bigTN"); taud = getval("taud"); gstab = getval("gstab"); pwClvl = getval("pwClvl"); pwC = getval("pwC"); compH = getval("compH"); compC = getval("compC"); pwNlvl = getval("pwNlvl"); pwN = getval("pwN"); phi_CO = getval("phi_CO"); phi_Ca = getval("phi_Ca"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gt7 = getval("gt7"); gt0 = getval("gt0"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); gzlvl7 = getval("gzlvl7"); gzlvl0 = getval("gzlvl0"); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { pwCa90 = getval("pwCa90"); pwCa180 = getval("pwCa180"); pwCab180 = getval("pwCab180"); pwCO90 = getval("pwCO90"); pwCO180 = getval("pwCO180"); dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/ dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/ dfC90 = (compC*4095.0*pwC*1.69)/pwCO90; /*power for "offC6" pulse */ dfCa90 = (compC*4095.0*pwC)/pwCa90; /*power for "offC13" pulse*/ dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */ dfCa90 = (int) (dfCa90 + 0.5); dfCa180 = (int) (dfCa180 + 0.5); dfC90 = (int) (dfC90 + 0.5); dfCO180 = (int) (dfCO180 + 0.5); dfCab180 = (int) (dfCab180 +0.5); /* power level and pulse time for WALTZ 1H decoupling */ pwHd = 1/(4.0 * waltzB1) ; tpwrHd = tpwr - 20.0*log10(pwHd/(compH*pw)); tpwrHd = (int) (tpwrHd + 0.5); } else { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm; offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl); offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl); offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl); bw = 128.0*ppm; offC13 = pbox_make("offC13", "square90n", bw, ofs, compC*pwC, pwClvl); ofs = -128.0*ppm; offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl); bw = 2.8*7500.0; wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } dfC90 = offC6.pwrf; pwCO90 = offC6.pw; dfCO180 = offC8.pwrf; pwCO180 = offC8.pw; dfCa90 = offC13.pwrf; pwCa90 = offC13.pw; dfCa180 = offC17.pwrf; pwCa180 = offC17.pw; dfCab180 = offC27.pwrf; pwCab180 = offC27.pw; tpwrHd = wz16.pwr; pwHd = 1.0/wz16.dmf; } maxpwCN = 2.0*pwN; if (pwCab180 > pwN) maxpwCN = pwCab180; /* LOAD PHASE TABLE */ settable(t1,4,phi1); settable(t2,2,phi2); settable(t3,8,phi3); settable(t4,16,phi4); settable(t5,1,phi5); settable(t16,8,rec); /* CHECK VALIDITY OF PARAMETER RANGES */ if(ni > 64) { printf("ni is out of range. Should be: 14 to 64 ! \n"); psg_abort(1); } /* if(ni/sw1 > 2.0*(bigTCO)) { printf("ni is too big, should be < %f\n", sw1*2.0*(bigTCO)); psg_abort(1); } */ if(ni2/sw2 > 2.0*(bigTN - pwCO180)) { printf("ni2 is too big, should be < %f\n",2.0*sw2*(bigTN-pwCO180)); psg_abort(1); } if((dm[A] == 'y' || dm[B] == '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( dpwr > 50 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } /* Phase incrementation for hypercomplex 2D data */ if (phase1 == 1) { tsadd(t1, 1, 4); } if (phase2 == 2) { tsadd(t5,2,4); icosel = 1; } else icosel = -1; /* Set up f1180 tau1 = t1 */ tau1 = d2; if ((f1180[A] == 'y') && (ni > 1)) { tau1 += (1.0/(2.0*sw1)); } if(tau1 < 0.2e-6) tau1 = 0.0; tau1 = tau1/4.0; ratio = 2.0*bigTCO*sw1/((double) ni); ratio = (double)((int)(ratio*100.0))/100.0; if (ratio > 1.0) ratio = 1.0; if((dps_flag) && (ni > 1)) printf("ratio = %f => %f\n",2.0*bigTCO*sw1/((double) ni), ratio); /* Set up f2180 tau2 = t2 */ tau2 = d3; if ((f2180[A] == 'y') && (ni2 > 1)) { tau2 += (1.0/(2.0*sw2)); } if(tau2 < 0.2e-6) tau2 = 0.0; tau2 = tau2/4.0; /* 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(t16,2,4); } if( ix == 1) d3_init = d3 ; t2_counter = (int)((d3-d3_init)*sw2 + 0.5); if((t2_counter % 2)) { tsadd(t2,2,4); tsadd(t16,2,4); } decstepsize(1.0); initval(phi_CO, v1); initval(phi_Ca, v2); /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); delay(d1-1.0e-3); obsoffset(tof); decoffset(dof); obspower(tpwr); decpower(pwClvl); decpwrf(4095.0); dec2power(pwNlvl); txphase(zero); decphase(zero); dec2phase(zero); rcvroff(); if(gt6 > 0.2e-6) { delay(10.0e-6); decrgpulse(pwC, zero, 1.0e-6, 1.0e-6); delay(0.2e-6); zgradpulse(gzlvl6, gt6); } decpwrf(dfCa180); delay(1.0e-3); rgpulse(pw,zero,1.0e-6,1.0e-6); delay(2.0e-6); zgradpulse(gzlvl0,gt0); delay(taua - gt0 - 2.0e-6 - WFG_START_DELAY); simshaped_pulse("","offC17",2.0*pw,pwCa180,zero,zero,1.0e-6,1.0e-6); /* c13 offset on CO, slp 180 on Ca */ delay(taua - gt0 - 500.0e-6 - WFG_STOP_DELAY); zgradpulse(gzlvl0,gt0); txphase(one); delay(500.0e-6); rgpulse(pw, one, 1.0e-6, 1.0e-6); decphase(zero); delay(2.0e-6); zgradpulse(gzlvl3,gt3); obspower(tpwrHd); decpwrf(dfCa90); delay(200.0e-6); /* c13 offset on CO, slp 90 on Ca */ decshaped_pulse("offC13", pwCa90, zero, 0.0, 0.0); delay(taub -PRG_START_DELAY); obsprgon("waltz16", pwHd, 180.0); xmtron(); decpwrf(dfC90); decphase(t1); delay(bigTC -taub -SAPS_DELAY -PWRF_DELAY); /* c13 offset on CO, on-res 90 on CO */ decshaped_pulse("offC6", pwCO90, t1, 0.0, 0.0); /* CO EVOLUTION BEGINS */ decpwrf(dfCO180); decphase(zero); delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1); /* c13 offset on CO, on-res 180 on CO */ decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); decpwrf(dfCab180); delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_STOP_DELAY); xmtroff(); obsprgoff(); /* c13 offset on CO, slp 180 at Cab */ sim3shaped_pulse("","offC27","",0.0,pwCab180,2.0*pwN,zero,zero,zero,0.0,0.0); obsprgon("waltz16", pwHd, 180.0); xmtron(); decpwrf(dfCO180); delay(bigTCO/2.0 +(2.0 -ratio)*tau1 -PRG_START_DELAY); /* c13 offset on CO, on-res 180 on CO */ decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); decpwrf(dfC90); dcplrphase(v1); delay(bigTCO/2.0 +maxpwCN/2.0 +WFG_STOP_DELAY -2.0*pwCO90/PI -ratio*tau1 -SAPS_DELAY); /* CO EVOLUTION ENDS */ decshaped_pulse("offC6", pwCO90, zero, 0.0, 0.0); /* c13 offset on CO, on-res 90 on CO */ decpwrf(dfCa90); decphase(t3); dcplrphase(v2); delay(bigTC -2.0*SAPS_DELAY -PWRF_DELAY); /* c13 offset on CO, slp 90 at Ca */ decshaped_pulse("offC13", pwCa90, t3, 0.0, 0.0); xmtroff(); decpwrf(dfCO180); decphase(zero); dcplrphase(zero); dec2phase(t2); delay(2.0e-5); zgradpulse(gzlvl4,gt4); delay(2.0e-6); obsprgon("waltz16", pwHd, 180.0); xmtron(); txphase(zero); delay(150.0e-6); dec2rgpulse(pwN, t2, 0.0, 0.0); /* N15 EVOLUTION BEGINS HERE */ delay(bigTN/2.0 -tau2); decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); /* c13 offset on CO, on-res 180 on CO */ decpwrf(dfCa180); dec2phase(t4); delay(bigTN/2.0 -tau2); dec2rgpulse(2.0*pwN, t4, 0.0, 0.0); decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0); /* c13 offset on CO, slp 180 at Ca */ decpwrf(dfCO180); delay(bigTN/2.0 +tau2 -pwCa180 -WFG_START_DELAY -WFG_STOP_DELAY); decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); /* c13 offset on CO, on-res 180 on CO */ delay(bigTN/2.0 +tau2 -tauc -PRG_STOP_DELAY); dec2phase(t5); xmtroff(); obsprgoff(); obspower(tpwr); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); delay(tauc -gt1 -2.0*GRADIENT_DELAY); /* N15 EVOLUTION ENDS HERE */ sim3pulse(pw,0.0, pwN, zero,zero, t5, 0.0, 0.0); dec2phase(zero); delay(2.0e-6); zgradpulse(0.8*gzlvl5, gt5); delay(taud - gt5 - 2.0e-6); sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0); delay(taud - gt5 - 500.0e-6); zgradpulse(0.8*gzlvl5, gt5); txphase(one); decphase(one); delay(500.0e-6); sim3pulse(pw,0.0, pwN, one,zero, one, 0.0, 0.0); delay(2.0e-6); txphase(zero); decphase(zero); zgradpulse(gzlvl5, gt5); delay(taud - gt5 - 2.0e-6); sim3pulse(2.0*pw,0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0); delay(taud - gt5 - 2.0*POWER_DELAY - 500.0e-6); zgradpulse(gzlvl5, gt5); decpower(dpwr); dec2power(dpwr2); delay(500.0e-6); rgpulse(pw, zero, 0.0, 0.0); delay(gstab +gt2 +2.0*GRADIENT_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt2); else zgradpulse(icosel*gzlvl2, gt2); delay(0.5*gstab); rcvron(); statusdelay(C, 0.5*gstab); setreceiver(t16); }
pulsesequence() { char f1180[MAXSTR], f2180[MAXSTR], f3180[MAXSTR], mag_flg[MAXSTR]; int phase, icosel, t1_counter, t2_counter, t3_counter; double pwClvl, pwC, rf0 = 4095, rfst, compC = getval("compC"), tpwrs, pwHs = getval("pwHs"), compH = getval("compH"), pwNlvl, pwN, tau1, tau2, tau3, tauch, /* 3.4 ms */ taunh, /* 2.4 ms */ mix, tofh, dofcaco, /* ~120 ppm */ gt0, gzlvl0, gt1,gzlvl1, gzlvl2, gzcal = getval("gzcal"), gstab = getval("gstab"), gt3,gzlvl3, gt4,gzlvl4, gt5,gzlvl5, gt6,gzlvl6, gt7,gzlvl7, gt8, gzlvl8, gt9, gzlvl9; /* LOAD VARIABLES */ getstr("f1180",f1180); getstr("f2180",f2180); getstr("f3180",f3180); getstr("mag_flg", mag_flg); pwClvl = getval("pwClvl"); pwC = getval("pwC"); pwNlvl = getval("pwNlvl"); pwN = getval("pwN"); mix = getval("mix"); tauch = getval("tauch"); taunh = getval("taunh"); sw1 = getval("sw1"); sw2 = getval("sw2"); sw3 = getval("sw3"); phase = (int) (getval("phase") + 0.5); phase2 = (int) (getval("phase2") + 0.5); phase3 = (int) (getval("phase3") + 0.5); gt0 = getval("gt0"); gt1 = getval("gt1"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gt7 = getval("gt7"); gt8 = getval("gt8"); gt9 = getval("gt9"); gzlvl0 = getval("gzlvl0"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); gzlvl7 = getval("gzlvl7"); gzlvl8 = getval("gzlvl8"); gzlvl9 = getval("gzlvl9"); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { tofh = getval("tofh"); dofcaco = getval("dofcaco"); /* ~120 ppm */ /* 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); } } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { 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); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); ofs = getval("tof") - 1.75*getval("sfrq"); pws = getval("dof") + 85.0*ppm; } rfst = stC200.pwrf; tofh = ofs; dofcaco = pws; } /* 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[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 > 50) || (dpwr2 > 50)) { printf("don't fry the probe, dpwr too high! "); psg_abort(1); } /* 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(t11, 8, rec_1); /* Phase incrementation for hypercomplex data */ if ( phase == 2 ) { tsadd(t1,1,4); } if ( phase2 == 2 ) { tsadd(t2,1,4); } if ( phase3 == 1 ) { tsadd(t5,2,4); icosel = 1; } else icosel = -1; /* calculate modification to phases based on current t2 values to achieve STATES-TPPI acquisition */ if(ix == 1) d2_init = d2; t1_counter = (int)((d2-d2_init)*sw1 + 0.5); if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t11,2,4); } if(ix == 1) d3_init = d3; t2_counter = (int)((d3-d3_init)*sw2 + 0.5); if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t11,2,4); } if(ix == 1) d4_init = d4; t3_counter = (int)((d4-d4_init)*sw3 + 0.5); if(t3_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); } /* set up so that get (90, -180) phase corrects in F1 if f1180 flag is 'y' */ tau1 = d2; if(f1180[A] == 'y') { tau1 += (1.0/(2.0*sw1)); } if (tau1 < 0.2e-6) tau1 = 0.0; tau1 = tau1/2.0; /* set up so that get (90, -180) phase corrects in F2 if f2180 flag is 'y' */ tau2 = d3 - (4.0*pwC/PI + 2.0*pw + 2.0e-6); if (dm[B] == 'y') { tau2 = tau2 - (2.0*POWER_DELAY + PRG_START_DELAY + PRG_STOP_DELAY); } if(f2180[A] == 'y') { tau2 += (1.0/(2.0*sw2)); } if (tau2 < 0.2e-6) tau2 = 0.0; tau2 = tau2/2.0; /* set up so that get (90, -180) phase corrects in F3 if f3180 flag is 'y' */ tau3 = d4; if(f3180[A] == 'y') { tau3 += (1.0/(2.0*sw3)); } if (tau3 < 0.2e-6) tau3 = 0.0; tau3 = tau3/2.0; initval(315.0, v7); obsstepsize(1.0); /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); delay(10.0e-6); obspower(tpwr); decpower(pwClvl); decpwrf(rf0); dec2power(pwNlvl); obsoffset(tofh); decoffset(dof); dec2offset(dof2); txphase(t1); xmtrphase(v7); delay(d1); if (gt0 > 0.2e-6) { decrgpulse(pwC,zero,2.0e-6,0.0); dec2rgpulse(pwN,zero,2.0e-6,0.0); zgradpulse(gzlvl0,gt0); delay(1.0e-3); } decphase(t2); rgpulse(pw,t1,2.0e-6,0.0); xmtrphase(zero); zgradpulse(gzlvl3,gt3); delay(tauch - gt3); decrgpulse(pwC,t2,2.0e-6,0.0); status(B); decpower(dpwr); delay(tau2); rgpulse(2.0*pw,t1,0.0,0.0); decphase(zero); if (tau2 > 2.0*pwN) { dec2rgpulse(2.0*pwN,zero,0.0,0.0); delay(tau2 - 2.0*pwN); } else delay(tau2); status(A); decpower(pwClvl); decrgpulse(pwC,zero, 2.0e-6,2.0e-6); txphase(zero); delay(tauch + tau1 + SAPS_DELAY - gt3 - 4.0*pwC - 500.0e-6); zgradpulse(gzlvl3,gt3); delay(500.0e-6); 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,0.0,0.0); delay(mix - gt4 - gt5 - pwN - 2.0e-3); obsoffset(tof); zgradpulse(gzlvl4,gt4); delay(1.0e-3); sim3pulse((double)0.0,pwC,pwN,zero,zero,zero,0.0,2.0e-6); zgradpulse(gzlvl5,gt5); delay(1.0e-3); rgpulse(pw,zero,0.0,2.0e-6); zgradpulse(gzlvl6,gt6); delay(taunh - gt6 - 2.0e-6); sim3pulse(2.0*pw,(double)0.0,2*pwN,zero,zero,zero,0.0,0.0); delay(taunh - gt6 - 500.0e-6); zgradpulse(gzlvl6,gt6); txphase(one); delay(500.0e-6); rgpulse(pw,one,0.0,0.0); txphase(two); obspower(tpwrs); shaped_pulse("H2Osinc", pwHs, two, 2.0e-6, 2.0e-6); obspower(tpwr); zgradpulse(gzlvl7,gt7); dec2phase(t3); decoffset(dofcaco); decpwrf(rfst); delay(200.0e-6); dec2rgpulse(pwN,t3,0.0,0.0); dec2phase(t4); delay(tau3); rgpulse(2.0*pw, zero, 0.0, 0.0); decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0); delay(tau3); delay(gt1 + 202.0e-6 - 1.0e-3 - 2.0*pw); dec2rgpulse(2.0*pwN, t4, 0.0, 2.0e-6); dec2phase(t5); if(mag_flg[A] == 'y') { magradpulse(gzcal*gzlvl1, gt1); } else { zgradpulse(gzlvl1, gt1); delay(4.0*GRADIENT_DELAY); } delay(200.0e-6 + WFG_START_DELAY + WFG_STOP_DELAY - 6.0*GRADIENT_DELAY); sim3pulse(pw, 0.0, pwN, zero, zero, t5, 0.0, 2.0e-6); dec2phase(zero); zgradpulse(gzlvl8, gt8); delay(taunh - gt8); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); delay(taunh - gt8 - 400.0e-6); zgradpulse(gzlvl8, gt8); txphase(one); dec2phase(one); delay(400.0e-6); sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl9, gt9); delay(taunh - gt9); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl9, gt9); delay(taunh - gt9); rgpulse(pw, zero, 0.0, 0.0); delay((gt1/10.0) + gstab - 0.5*pw + 6.0*GRADIENT_DELAY + POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); if(mag_flg[A] == 'y') { magradpulse(icosel*gzcal*gzlvl2, gt1/10.0); } else { zgradpulse(icosel*gzlvl2, gt1/10.0); delay(4.0*GRADIENT_DELAY); } dec2power(dpwr2); delay(gstab); status(C); setreceiver(t11); }
pulsesequence() { /* DECLARE VARIABLES */ char fsat[MAXSTR], fscuba[MAXSTR], f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ C_flg[MAXSTR], dtt_flg[MAXSTR]; int phase, phase2, ni, ni2, t1_counter, /* used for states tppi in t1 */ t2_counter; /* used for states tppi in t2 */ double tau1, /* t1 delay */ tau2, /* t2 delay */ taua, /* ~ 1/4JHC = 1.6 ms */ taub, /* 1/6JCH = 1.1 ms */ BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */ BigTC1, /* Carbon constant time period2 < 1/4Jcc to account for relaxation */ pwN, /* PW90 for 15N pulse @ pwNlvl */ pwC, /* PW90 for c nucleus @ pwClvl */ pwcrb180, /* PW180 for C 180 reburp @ rfrb */ pwClvl, /* power level for 13C pulses on dec1 */ compC, compH, /* compression factors for H1 and C13 amps */ rfrb, /* power level for 13C reburp pulse */ pwNlvl, /* high dec2 pwr for 15N hard pulses */ sw1, /* sweep width in f1 */ sw2, /* sweep width in f2 */ tofps, /* tof for presat */ gt0, gt1, gt2, gt3, gt4, gstab, gzlvl0, gzlvl1, gzlvl2, gzlvl3, gzlvl4, decstep1, bw, ofs, ppm, pwd1, dpwr3_D, pwd, tpwrs, pwHs, dof_me, tof_dtt, tpwrs1, pwHs1, dpwrsed, pwsed, dressed, rfrb_cg, pwrb_cg; /* LOAD VARIABLES */ getstr("fsat",fsat); getstr("f1180",f1180); getstr("f2180",f2180); getstr("fscuba",fscuba); getstr("C_flg",C_flg); getstr("dtt_flg",dtt_flg); tofps = getval("tofps"); taua = getval("taua"); taub = getval("taub"); BigTC = getval("BigTC"); BigTC1 = getval("BigTC1"); pwC = getval("pwC"); pwcrb180 = getval("pwcrb180"); pwN = getval("pwN"); tpwr = getval("tpwr"); pwClvl = getval("pwClvl"); compC = getval("compC"); compH = getval("compH"); dpwr = getval("dpwr"); pwNlvl = getval("pwNlvl"); phase = (int) ( getval("phase") + 0.5); phase2 = (int) ( getval("phase2") + 0.5); sw1 = getval("sw1"); sw2 = getval("sw2"); ni = getval("ni"); ni2 = getval("ni2"); gt0 = getval("gt0"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gstab = getval("gstab"); gzlvl0 = getval("gzlvl0"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); decstep1 = getval("decstep1"); pwd1 = getval("pwd1"); dpwr3_D = getval("dpwr3_D"); pwd = getval("pwd"); pwHs = getval("pwHs"); dof_me = getval("dof_me"); pwHs1 = pwHs; tpwrs=-16.0; tpwrs1=tpwrs; tof_dtt = getval("tof_dtt"); dpwrsed = -16; pwsed = 1000.0; dressed = 90.0; pwrb_cg = 0.0; setautocal(); /* activate auto-calibration */ if(FIRST_FID) /* make shapes */ { ppm = getval("dfrq"); bw = 80.0*ppm; rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl); bw = 8.125*ppm; ofs = -24.0*ppm; rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl); bw = 20.0*ppm; ofs = 136.0*ppm; cosed = pbox("COsedP", CODEC, CODECps, dfrq, compC*pwC, pwClvl); if(taua < (gt4+106e-6+pwHs)) printf("gt4 or pwHs may be too long! "); if(taub < rb180_cg.pw) printf("rb180_cgP pulse may be too long! "); } pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */ pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */ tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */ tpwrs = (int) (tpwrs); tpwrs1=tpwrs; dpwrsed = cosed.pwr; pwsed = 1.0/cosed.dmf; dressed = cosed.dres; /* LOAD PHASE TABLE */ settable(t1,2,phi1); settable(t2,4,phi2); settable(t3,4,phi3); settable(t4,4,phi4); settable(t5,8,phi5); settable(t6,8,phi6); settable(t7,8,phi7); settable(t8,1,phi8); settable(t9,2,rec); /* CHECK VALIDITY OF PARAMETER RANGES */ if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6 < 0.2e-6 ) { printf(" ni2 is too big\n"); psg_abort(1); } if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )) { printf("incorrect dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' || dm2[D] == 'y')) { printf("incorrect dec2 decoupler flags! Should be 'nnnn' "); psg_abort(1); } if( satpwr > 6 ) { printf("SATPWR too large !!! "); psg_abort(1); } if( dpwr > 48 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } if( dpwr2 > -16 ) { printf("don't fry the probe, DPWR2 too large! "); psg_abort(1); } if( pw > 200.0e-6 ) { printf("dont fry the probe, pw too high ! "); psg_abort(1); } if( pwN > 200.0e-6 ) { printf("dont fry the probe, pwN too high ! "); psg_abort(1); } if( pwC > 200.0e-6 ) { printf("dont fry the probe, pwC too high ! "); psg_abort(1); } if( pwcrb180 > 500.0e-6 ) { printf("dont fry the probe, pwcrb180 too high ! "); psg_abort(1); } if(dpwr3 > 51) { printf("dpwr3 is too high; < 52\n"); psg_abort(1); } if(dpwr3_D > 49) { printf("dpwr3_D is too high; < 50\n"); psg_abort(1); } if(d1 < 1) { printf("d1 must be > 1\n"); psg_abort(1); } if(dpwrsed > 48) { printf("dpwrsed must be less than 49\n"); psg_abort(1); } if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 || gt3 > 5.0e-3 || gt4 > 5.0e-3 ) { printf(" all values of gti must be < 5.0e-3\n"); psg_abort(1); } if(ix==1) { printf("make sure that BigTC1 is set properly for your application\n"); printf("7 ms, neglecting relaxation \n"); } /* Phase incrementation for hypercomplex 2D data */ if (phase == 2) { tsadd(t1,1,4); tsadd(t2,1,4); tsadd(t3,1,4); tsadd(t4,1,4); } if (phase2 == 2) tsadd(t8,1,4); /* Set up f1180 tau1 = t1 */ tau1 = d2; tau1 = tau1 - 2.0*pw - 4.0/PI*pwC - POWER_DELAY - 2.0e-6 - PRG_START_DELAY - PRG_STOP_DELAY - POWER_DELAY - 2.0e-6; if(f1180[A] == 'y') { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.4e-6) tau1 = 4.0e-7; } tau1 = tau1/2.0; /* Set up f2180 tau2 = t2 */ tau2 = d3; if(f2180[A] == 'y') { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.4e-6) tau2 = 4.0e-7; } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2 ; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t9,2,4); } if( ix == 1) d3_init = d3 ; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t8,2,4); tsadd(t9,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); obspower(satpwr); /* Set transmitter power for 1H presaturation */ decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */ dec2power(pwNlvl); /* Set Dec2 to low power */ /* Presaturation Period */ status(B); if (fsat[0] == 'y') { obsoffset(tofps); delay(2.0e-5); rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */ obspower(tpwr); /* Set transmitter power for hard 1H pulses */ delay(2.0e-5); if(fscuba[0] == 'y') { delay(2.2e-2); rgpulse(pw,zero,2.0e-6,0.0); rgpulse(2.0*pw,one,2.0e-6,0.0); rgpulse(pw,zero,2.0e-6,0.0); delay(2.2e-2); } } else { delay(d1); } obspower(tpwr); /* Set transmitter power for hard 1H pulses */ obsoffset(tof); txphase(t1); decphase(zero); dec2phase(zero); delay(1.0e-5); /* Begin Pulses */ status(C); decoffset(dof_me); lk_hold(); rcvroff(); delay(20.0e-6); /* ensure that magnetization originates on 1H and not 13C */ if(dtt_flg[A] == 'y') { obsoffset(tof_dtt); obspower(tpwrs1); shaped_pulse("H2Osinc",pwHs1,zero,10.0e-6,0.0); obspower(tpwr); obsoffset(tof); } decrgpulse(pwC,zero,0.0,0.0); zgradpulse(gzlvl0,gt0); delay(gstab); rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */ zgradpulse(gzlvl1,gt1); delay(gstab); delay(taua - gt1 -gstab); simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0); txphase(one); delay(taua - gt1 - gstab); zgradpulse(gzlvl1,gt1); delay(gstab); rgpulse(pw,one,0.0,0.0); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ decoffset(dof); /* jump 13C to 40 ppm */ zgradpulse(gzlvl2,gt2); delay(gstab); decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t2); decpwrf(4095.0); delay(BigTC - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t2,0.0,0.0); decphase(zero); /* turn on 2H decoupling */ dec3phase(one); dec3power(dpwr3); dec3rgpulse(pwd1,one,4.0e-6,0.0); dec3phase(zero); dec3unblank(); dec3power(dpwr3_D); dec3prgon(dseq3,pwd,dres3); dec3on(); /* turn on 2H decoupling */ initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC1 - POWER_DELAY - 4.0e-6 - pwd1 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t3); decpwrf(4095.0); delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t3,0.0,0.0); decpwrf(rfrb_cg); decphase(zero); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(rfrb); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY - 2.0e-6 - WFG_START_DELAY); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_cg); decphase(zero); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(4095.0); decphase(t4); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t4,0.0,0.0); if(C_flg[A] == 'n') { decpower(dpwrsed); decunblank(); decphase(zero); delay(2.0e-6); decprgon(cosed.name,pwsed,dressed); decon(); delay(tau1); rgpulse(2.0*pw,zero,0.0,0.0); delay(tau1); decoff(); decprgoff(); decblank(); decpower(pwClvl); } else simpulse(2.0*pw,2.0*pwC,zero,zero,4.0e-6,4.0e-6); decrgpulse(pwC,t5,2.0e-6,0.0); decpwrf(rfrb_cg); decphase(zero); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(rfrb); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY - 2.0e-6 - WFG_START_DELAY); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_cg); decphase(zero); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - SAPS_DELAY - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(4095.0); decphase(t6); if(taub > pwrb_cg) delay(taub/2.0 - pwrb_cg/2.0 - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t6,0.0,0.0); decphase(zero); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC1 - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t7); decpwrf(4095.0); delay(BigTC1 - WFG_STOP_DELAY - POWER_DELAY - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - pwd1); /* 2H decoupling off */ dec3off(); dec3prgoff(); dec3blank(); dec3power(dpwr3); dec3rgpulse(pwd1,three,4.0e-6,0.0); /* 2H decoupling off */ decrgpulse(pwC,t7,0.0,0.0); decphase(zero); delay(tau2); rgpulse(2.0*pw,zero,0.0,0.0); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t8); decpwrf(4095.0); delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6); decrgpulse(pwC,t8,4.0e-6,0.0); decoffset(dof_me); zgradpulse(gzlvl3,gt3); delay(gstab); lk_sample(); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ rgpulse(pw,zero,4.0e-6,0.0); zgradpulse(gzlvl4,gt4); delay(gstab); delay(taua - gt4 -gstab - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ zgradpulse(gzlvl4,gt4); delay(gstab); delay(taua - POWER_DELAY - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - POWER_DELAY - gt4 - gstab - 2.0*POWER_DELAY); decpower(dpwr); /* Set power for decoupling */ dec2power(dpwr2); /* rcvron(); */ /* Turn on receiver to warm up before acq */ /* BEGIN ACQUISITION */ status(D); setreceiver(t9); }
pulsesequence() { /* DECLARE VARIABLES */ char fscuba[MAXSTR],f1180[MAXSTR],f2180[MAXSTR],fsat[MAXSTR], shape[MAXSTR],sh_ad[MAXSTR],f3180[MAXSTR], N_flg[MAXSTR],diag_supp[MAXSTR]; int phase, phase2, phase3, t1_counter, t2_counter, t3_counter, icosel; double hscuba, /* length of 1/2 scuba delay */ pwx2, /* PW90 for X-nuc */ tsatpwr, /* low power level for presat*/ dhpwr2, /* power level for X hard pulses */ jxh, /* coupling for XH */ tauxh, /* delay = 1/(2jxh) */ tau1, /* t1/2 H */ tau2, /* t2/2 N */ tau3, /* t3/2 N */ sw1, /* spectral width in 1H dimension */ sw2, /* spectral width in 15N dimension */ sw3, /* spectral width in 15N dimension */ MIX, /* Total Mixing time for noesy portion */ pw_sl, /* selective 2ms pulse on water */ tpwrsl, /* power level for pw_sl */ ppm,nst,pws,bw,ofs, /* used by Pbox */ pwN,pwNlvl,compH,compC,pwC,pwClvl, d_ad, /* C high power for adiabatic pulses */ pwc_ad, /* C 90 pulse width */ zeta, /* Bax-Logan trick */ zeta1, /* Bax-Logan trick */ BigT, BigT1, gzlvl0, gzlvl1, gzlvl2, gzlvl3, gzlvl4, gzlvl5, gzlvl6, gzlvl7, gzlvl8, gzlvl9, gzlvl10, gzlvl11, gzlvl12, gstab, gt1, gt2, gt3, gt4, gt5, gt6, gt7, gt8, gt9, gt10, gt11, gt12; /* LOAD VARIABLES */ pwNlvl=getval("pwNlvl"); pwN=getval("pwN"); compC=getval("compC"); pwC=getval("pwC"); pwClvl=getval("pwClvl"); compH=getval("compH"); jxh = getval("jxh"); dhpwr2 = getval("dhpwr2"); pwx2 = getval("pwx2"); tsatpwr = getval("tsatpwr"); hscuba = getval("hscuba"); phase = (int) (getval("phase") + 0.5); phase2 = (int) (getval("phase2") + 0.5); phase3 = (int) (getval("phase3") + 0.5); sw1 = getval("sw1"); sw2 = getval("sw2"); sw3 = getval("sw3"); MIX = getval("MIX"); pw_sl = getval("pw_sl"); tpwrsl = getval("tpwrsl"); pwc_ad = getval("pwc_ad"); d_ad = getval("d_ad"); ni = getval("ni"); BigT = getval("BigT"); BigT1 = getval("BigT1"); gstab = getval("gstab"); gzlvl0 = getval("gzlvl0"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); gzlvl7 = getval("gzlvl7"); gzlvl8 = getval("gzlvl8"); gzlvl9 = getval("gzlvl9"); gzlvl10 = getval("gzlvl10"); gzlvl11 = getval("gzlvl11"); gzlvl12 = getval("gzlvl12"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gt7 = getval("gt7"); gt8 = getval("gt8"); gt9 = getval("gt9"); gt10 = getval("gt10"); gt11 = getval("gt11"); gt12 = getval("gt12"); getstr("fscuba",fscuba); getstr("fsat",fsat); getstr("f1180",f1180); getstr("f2180",f2180); getstr("f3180",f3180); getstr("N_flg",N_flg); getstr("diag_supp",diag_supp); getstr("sh_ad",sh_ad); getstr("shape",shape); if(d_ad > 62) { printf("chirp power is too high \n"); psg_abort(1); } if(pwc_ad > 1.2e-3) { printf("adiabatic pulse is too long; set < 0.5 ms\n"); psg_abort(1); } setautocal(); /* activate auto-calibration flags */ if (autocal[0] != 'n') /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { strcpy(shape,"H2Osel"); strcpy(sh_ad,"C13adiab"); if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); ofs = 0.0; pws = 0.0005; /*0.5 ms pulse */ bw = 200.0*ppm; nst = 1000; /* nst - number of steps */ C13adiab = pbox_makeA("C13adiab", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); H2Osel = pbox_Rsh("H2Osel", "sinc90", pw_sl, 0.0, compH*pw, tpwr); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } pw_sl = H2Osel.pw; tpwrsl = H2Osel.pwr-1.0; /* 1dB correction applied */ d_ad = C13adiab.pwr; pwc_ad = C13adiab.pw; pwx2=pwN; dhpwr2=pwNlvl; } /* check validity of parameter range */ if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y')) { printf("incorrect Dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y')) { printf("incorrect Dec2 decoupler flags! "); psg_abort(1); } if( tsatpwr > 8 ) { printf("tsatpwr too large !!! "); psg_abort(1); } if( dpwr > -16 ) { printf("No C decoupling used in this expt. "); psg_abort(1); } if( dpwr2 > -16 ) { printf("No N decoupling used in this expt. "); psg_abort(1); } if(gzlvl0 > 500) { printf("gzlvl0_max is 500\n"); psg_abort(1); } if( gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3 || gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3 || gt7 > 3e-3 || gt8 > 3e-3 || gt9 > 3e-3 || gt10 > 3e-3 || gt11 > 3e-3 || gt12 > 3e-3) { printf("gradients are on for too long !!! "); psg_abort(1); } if(ix==1) { if(f1180[A] != 'n' || f2180[A] !='y' || f3180[A] != 'y') { printf("f1180 should be n, f2180 y, and f3180 should be y\n"); } } /* LOAD VARIABLES */ settable(t1, 4, phi1); settable(t2, 1, phi2); settable(t3, 1, phi3); settable(t4, 1, phi4); settable(t5, 1, phi5); settable(t6, 1, phi6); settable(t7, 1, phi7); settable(t8, 1, phi8); settable(t9, 2, phi9); settable(t10, 4, rec); /* INITIALIZE VARIABLES */ tauxh = 1/(4*jxh); /* Phase incrementation for hypercomplex data */ if( phase == 2 ) { tsadd(t2, 1, 4); tsadd(t3, 1, 4); } if ( phase2 == 2 ) { /* Hypercomplex in t2 */ tsadd(t1, 1, 4); } if ( phase3 == 2 ) /* Hypercomplex in t3 */ { tsadd(t6, 2, 4); tsadd(t7, 2, 4); tsadd(t8, 2, 4); tsadd(t10, 2, 4); icosel = -1; } else icosel = 1; /* calculate modifications to phases based on current t2/t3 values to achieve States-TPPI acquisition */ if(ix==1) d4_init = d4; t3_counter = (int) ( (d4-d4_init)*sw3 + 0.5); if(t3_counter %2) { tsadd(t4,2,4); tsadd(t5,2,4); tsadd(t10,2,4); } if(ix==1) d3_init = d3; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5); if(t2_counter %2) { tsadd(t1,2,4); tsadd(t10,2,4); } if(ix==1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5); if(t1_counter %2) { tsadd(t2,2,4); tsadd(t3,2,4); tsadd(t10,2,4); } /* set up so that get (-90,180) phase corrects in F1 if f1180 flag is y */ tau1 = d2; if(f1180[A] == 'y') { tau1 += 1/(2.0*sw1); } tau1 = tau1/2.0; if(tau1 < 0.2e-6) tau1 = 0.2e-6; /* set up so that get (-90,180) phase corrects in F2 if f2180 flag is y */ tau2 = d3; if(f2180[A] == 'y') tau2 += ( 1.0/(2.0*sw2) - (4.0/PI)*pwx2 - 2.0*(2.0*GRADIENT_DELAY + 50.0e-6 + 5.0e-6) ); if(f2180[A] == 'n') tau2 = ( tau2 - (4.0/PI)*pwx2 - 2.0*(2.0*GRADIENT_DELAY + 50.0e-6 + 5.0e-6) ); tau2 = tau2/2.0; if(ix==1) if((tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY) < 5.0e-6) && N_flg[A] == 'n') printf("tau2 is negative; set f1180 to y\n"); /* set up so that get (-90,180) phase corrects in F3 if f3180 flag is y */ tau3 = d4; if(f3180[A] == 'y') tau3 += ( 1.0/(2.0*sw3) ); tau3 = tau3/2.0; if( tau3 < 0.2e-6) tau3 = 2.0e-7; /* Now include Bax/Logan trick */ if(ni != 1) { if(diag_supp[A] == 'n') zeta = (tauxh - gt5 - 102.0e-6 + 2.0*pwx2 - 2.0e-6); else zeta = (1.0/(8.0*93.39) - gt5 - 102.0e-6 + 2.0*pwx2 - 2.0e-6); zeta = zeta / ( (double) (ni-1) ); if(zeta < 0.0) { printf("problem with zeta\n"); psg_abort(1); } } else zeta = 0.0; if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2 - d2_init)*sw1 + 0.5 ); zeta1 = zeta*( (double)t1_counter ); tau1 = tau1 - zeta1; /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); obspower(tsatpwr); /* Set power for presaturation */ decpower(d_ad); /* Set decoupler1 power to d_ad */ dec2power(dhpwr2); /* Set decoupler2 power to dhpwr2 */ /* Presaturation Period */ if(fsat[0] == 'y') { txphase(zero); rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */ obspower(tpwr); /* Set power for hard pulses */ if (fscuba[0] == 'y') /* Scuba pulse sequence */ { hsdelay(hscuba); rgpulse(pw,zero,1.0e-6,0.0); /* 90x180y90x */ rgpulse(2*pw,one,1.0e-6,0.0); rgpulse(pw,zero,1.0e-6,0.0); txphase(zero); delay(hscuba); } } else { obspower(tpwr); /* Set power for hard pulses */ delay(d1); } status(B); obsoffset(tof); rcvroff(); delay(20.0e-6); /* eliminate all magnetization originating from 15N */ dec2rgpulse(pwx2,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); rgpulse(pw,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(2.0e-6); delay(tauxh - gt2 - 4.0e-6); /* delay=1/4J(XH) */ sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,0.0,0.0); delay(tauxh - gt2 - 202.0e-6); /* delay=1/4J(XH) */ txphase(one); dec2phase(t1); delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(gstab); rgpulse(pw,one,0.0,0.0); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,two,2.0e-6,0.0); delay(2.0e-6); obspower(tpwr); /* shaped pulse */ delay(2.0e-6); zgradpulse(gzlvl3,gt3); delay(gstab); txphase(zero); dec2rgpulse(pwx2,t1,0.0,0.0); dec2phase(zero); if(N_flg[A] == 'n') { if(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY + pwc_ad + WFG2_STOP_DELAY) < 0.2e-6) { rgradient('z',gzlvl0); /* use rgradient since shaping takes more time */ delay(tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY)); rgradient('z',0.0); delay(50.0e-6); shaped_pulse("composite",4.0*pw,zero,0.0,0.0); /* 90x-180y-90x */ rgradient('z',-1.0*gzlvl0); delay(tau2 + 5.0e-6 - 0.5*(WFG_START_DELAY + 4.0*pw + WFG_STOP_DELAY)); rgradient('z',0.0); delay(50.0e-6); } else { rgradient('z',gzlvl0); /* use rgradient since shaping takes more time */ delay(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY + pwc_ad + WFG2_STOP_DELAY)); rgradient('z',0.0); delay(50.0e-6); simshaped_pulse("composite",sh_ad,4.0*pw,pwc_ad,zero,zero,0.0,0.0); rgradient('z',-1.0*gzlvl0); /* use rgradient since shaping takes more time */ delay(tau2 + 5.0e-6 - 0.5*(WFG2_START_DELAY + pwc_ad + WFG2_STOP_DELAY)); rgradient('z',0.0); delay(50.0e-6); } } /* N_flg[A] == y */ else sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,4.0e-6,4.0e-6); dec2rgpulse(pwx2,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); if(diag_supp[A] == 'n') { /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,t3,2.0e-6,0.0); delay(2.0e-6); obspower(tpwr); /* shaped pulse */ rgpulse(pw,t2,2.0e-6,0.0); txphase(t9); delay(tau1 + tauxh + zeta1 - gt5 - 102.0e-6); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(100.0e-6); dec2rgpulse(2.0*pwx2,zero,0.0,0.0); delay(tau1); rgpulse(2.0*pw,t9,0.0,0.0); txphase(one); delay(tauxh - zeta1 - gt5 - 102.0e-6 + 2.0*pwx2); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(100.0e-6); rgpulse(pw,one,0.0,0.0); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,one,2.0e-6,0.0); delay(2.0e-6); obspower(tpwr); /* shaped pulse */ delay(MIX - gt6 - gstab -2.0e-6); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gt6); delay(gstab); } else { initval(1.0,v4); obsstepsize(45.0); xmtrphase(v4); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,t3,2.0e-6,0.0); delay(2.0e-6); obspower(tpwr); /* shaped pulse */ /* xmtrphase(zero); delay(2.0e-6); initval(1.0,v4); obsstepsize(45.0); xmtrphase(v4); */ rgpulse(pw,t2,2.0e-6,0.0); xmtrphase(zero); txphase(t9); delay(tau1 + 1.0/(8.0*93.39) + zeta1 - gt5 - 102.0e-6 - SAPS_DELAY); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(100.0e-6); dec2rgpulse(2.0*pwx2,zero,0.0,0.0); delay(tau1); rgpulse(2.0*pw,t9,0.0,0.0); txphase(one); delay(1.0/(8.0*93.39) - zeta1 - gt5 - 102.0e-6 + 2.0*pwx2); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(100.0e-6); rgpulse(pw,one,0.0,0.0); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,one,2.0e-6,0.0); delay(2.0e-6); obspower(tpwr); /* shaped pulse */ delay(2.0e-6); zgradpulse(gzlvl6,gt6/2.0); delay(gstab); delay(MIX - 1.5*gt6 - 2.0*(gstab+2.0e-6) - 2.0*pwx2); dec2rgpulse(2.0*pwx2,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab); } rgpulse(pw,two,2.0e-6,0.0); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,zero,2.0e-6,0.0); delay(2.0e-6); txphase(zero); obspower(tpwr); /* shaped pulse */ delay(2.0e-6); zgradpulse(gzlvl7,gt7); delay(2.0e-6); delay(tauxh - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY - gt7 - 4.0e-6); /* delay=1/4J(XH) */ sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,0.0,0.0); delay(tauxh - gt7 - gstab -2.0e-6 - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY); delay(2.0e-6); zgradpulse(gzlvl7,gt7); delay(gt7); delay(gstab); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,one,2.0e-6,0.0); obspower(tpwr); delay(2.0e-6); txphase(zero); /* shaped pulse */ rgpulse(pw,one,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl8,gt8); delay(gstab); txphase(t6); if(phase3 == 1) dec2rgpulse(pwx2,t4,4.0e-6,0.0); if(phase3 == 2) dec2rgpulse(pwx2,t5,4.0e-6,0.0); decphase(zero); if(tau3 - 0.5*(WFG_START_DELAY + pwc_ad + WFG_STOP_DELAY) < 0.2e-6) { delay(tau3); delay(tau3); } else { delay(tau3 - 0.5*(WFG_START_DELAY + pwc_ad + WFG_STOP_DELAY)); decshaped_pulse(sh_ad,pwc_ad,zero,0.0,0.0); delay(tau3 - 0.5*(WFG_START_DELAY + pwc_ad + WFG_STOP_DELAY)); } delay(2.0e-6); zgradpulse(-1.0*gzlvl11,gt11); delay(100.0e-6); delay(BigT - 4.0/PI*pwx2 + pw - 2.0*GRADIENT_DELAY - gt11 - 102.0e-6); dec2rgpulse(2.0*pwx2,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl11,gt11); delay(100.0e-6); delay(BigT - 2.0*GRADIENT_DELAY - gt11 - 102.0e-6); rgpulse(pw,t6,0.0,0.0); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,t7,2.0e-6,0.0); delay(2.0e-6); txphase(zero); obspower(tpwr); /* shaped pulse */ delay(2.0e-6); zgradpulse(gzlvl9,gt9); delay(100.0e-6); delay(tauxh - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY - gt9 - 102.0e-6); sim3pulse(2.0*pw,0.0,2.0*pwx2,zero,zero,zero,0.0,0.0); dec2phase(t8); delay(2.0e-6); zgradpulse(gzlvl9,gt9); delay(100.0e-6); delay(tauxh - gt9 - 102.0e-6 - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pw_sl - WFG_STOP_DELAY - 2.0e-6 - POWER_DELAY); /* shaped pulse */ obspower(tpwrsl); shaped_pulse(shape,pw_sl,zero,2.0e-6,0.0); obspower(tpwr); delay(2.0e-6); txphase(zero); /* shaped pulse */ sim3pulse(pw,0.0,pwx2,zero,zero,t8,0.0,0.0); dec2phase(zero); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(2.0e-6); delay(tauxh - gt10 - 4.0e-6); sim3pulse(2*pw,0.0e-6,2*pwx2,zero,zero,zero,2.0e-6,2.0e-6); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(100.0e-6); delay(tauxh - gt10 - 102.0e-6 + 2.0/PI*pw - pwx2 + 0.5*(pwx2-pw)); dec2rgpulse(pwx2,zero,0.0,0.0); dec2power(dpwr2); /* Very Important */ decpower(dpwr); delay(BigT1 - 2.0*POWER_DELAY); rgpulse(2.0*pw,zero,0.0,0.0); delay(2.0e-6); zgradpulse(-1.0*icosel*gzlvl12,gt12); delay(50.0e-6); delay(BigT1 - 2.0*GRADIENT_DELAY - 52.0e-6 - gt12); /* acquire data */ status(C); setreceiver(t10); }
pulsesequence() { char f1180[MAXSTR], f2180[MAXSTR], mag_flg[MAXSTR], /* y for magic angle, n for z-gradient only */ ref_flg[MAXSTR]; /* yes for recording reference spectrum */ int icosel, phase, ni2, t1_counter, t2_counter; double gzcal = getval("gzcal"), tau1, tau2, taua, /* ~ 1/4JNH = 2.3-2.7 ms] */ taub, /* ~ 2.75 ms */ bigT, /* ~ 12 ms */ bigTCO, /* ~ 25 ms */ bigTN, /* ~ 12 ms */ pwClvl, /* High power level for carbon on channel 2 */ pwC, /* C13 90 degree pulse length at pwClvl */ compC, /* Compression factor for C13 on channel 2 */ pwCa180, /* 180 degree pulse length for Ca */ pwCab180, pwCO180, pwNlvl, /* Power level for Nitrogen on channel 3 */ pwN, /* N15 90 degree pulse lenght at pwNlvl */ maxcan, /* The larger of 2.0*pwN and pwCa180 */ bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */ dpwrfC = 4095.0, dfCa180, dfCab180, dfCO180, gt1, gt3, gt2, gt0, gt5, gt6, gt7, gt8, gt9, gt10, gstab, gzlvl1, gzlvl2, gzlvl3, gzlvl0, gzlvl5, gzlvl6, gzlvl7, gzlvl8, gzlvl9, gzlvl10; /* LOAD VARIABLES */ getstr("f1180",f1180); getstr("f2180",f2180); getstr("mag_flg", mag_flg); getstr("ref_flg", ref_flg); taua = getval("taua"); taub = getval("taub"); bigT = getval("bigT"); bigTCO = getval("bigTCO"); bigTN = getval("bigTN"); pwClvl = getval("pwClvl"); pwC = getval("pwC"); compC = getval("compC"); pwNlvl = getval("pwNlvl"); pwN = getval("pwN"); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { pwCa180 = getval("pwCa180"); pwCab180 = getval("pwCab180"); pwCO180 = getval("pwCO180"); dfCa180 = (compC*4095.0*pwC*2.0*1.69)/pwCa180; /*power for "offC17" pulse*/ dfCab180 = (compC*4095.0*pwC*2.0*1.69)/pwCab180; /*power for "offC27" pulse*/ dfCO180 = (compC*4095.0*pwC*2.0*1.65)/pwCO180; /*power for "offC8" pulse */ dfCa180 = (int) (dfCa180 + 0.5); dfCO180 = (int) (dfCO180 + 0.5); dfCab180 = (int) (dfCab180 +0.5); } else { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -118.0*ppm; offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl); offC17 = pbox_make("offC17", "sinc180n", bw, ofs, compC*pwC, pwClvl); bw = 128.0*ppm; ofs = -128.0*ppm; offC27 = pbox_make("offC27", "sinc180n", bw, ofs, compC*pwC, pwClvl); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } dfCO180 = offC8.pwrf; pwCO180 = offC8.pw; dfCa180 = offC17.pwrf; pwCa180 = offC17.pw; dfCab180 = offC27.pwrf; pwCab180 = offC27.pw; } maxcan = 2.0*pwN; if (pwCa180 > maxcan) maxcan = pwCa180; dpwr = getval("dpwr"); phase = (int) ( getval("phase") + 0.5); phase2 = (int) ( getval("phase2") + 0.5); sw1 = getval("sw1"); sw2 = getval("sw2"); ni = getval("ni"); ni2 = getval("ni2"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt0 = getval("gt0"); gt5 = getval("gt5"); gt6 = getval("gt6"); gt7 = getval("gt7"); gt8 = getval("gt8"); gt9 = getval("gt9"); gstab = getval("gstab"); gt10 = getval("gt10"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl5 = getval("gzlvl5"); gzlvl0 = getval("gzlvl0"); gzlvl6 = getval("gzlvl6"); gzlvl7 = getval("gzlvl7"); gzlvl8 = getval("gzlvl8"); gzlvl9 = getval("gzlvl9"); gzlvl10 = getval("gzlvl10"); /* LOAD PHASE TABLE */ settable(t1,4,phi1); settable(t2,2,phi2); settable(t3,16,phi3); settable(t4,16,phi4); settable(t5, 1, phi5); settable(t10,16,rec); /* CHECK VALIDITY OF PARAMETER RANGES */ if((ref_flg[A] == 'y') && (dps_flag)) { printf("ref_flg=y: for 2D HN-CO or 3D HNCO reference spectrum without CO-HB coupling.\n"); } if(ni2/sw2 > 2.0*(bigTN)) { printf(" ni2 is too big, should < %f\n", 2.0*sw2*(bigTN)); } if((ni/sw1 > 2.0*(bigTCO - gt6 - maxcan))&&(ref_flg[A] == 'y')) { printf("ni is too big, should < %f\n", 2.0*sw1*(bigTCO-gt6-maxcan)); } if(( dpwr > 50 ) || (dpwr2 > 50)) { printf("don't fry the probe, either dpwr or dpwr2 is too large! "); psg_abort(1); } if((gt1 > 5.0e-3) ||(gt2>5e-3)||(gt3>5e-3)|| (gt0 > 5.0e-3)) { printf("The length of gradients are too long\n"); psg_abort(1); } if((taub - 2.0*pw - gt8 - 1.0e-3 - 6.0*GRADIENT_DELAY)<0.0) { printf("Shorten gt8 so that preceding delay is not negative\n"); 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); } /* Phase incrementation for hypercomplex 2D data */ if (phase == 2) { if(ref_flg[A] == 'y') tsadd(t1,3,4); else tsadd(t1, 1, 4); } if (phase2 == 2) { tsadd(t5,2,4); icosel = 1; } else icosel = -1; /* Set up f1180 half_dwell time (1/sw1)/2.0 */ if (ref_flg[A] == 'y') tau1 = d2; else tau1 = d2 - (4.0*pw/PI); if(f1180[A] == 'y') { tau1 += (1.0/(2.0*sw1)); } if(tau1 < 0.2e-6) tau1 = 0.0; tau1 = tau1/4.0; /* Set up f2180 half dwell time (1/sw2)/2.0 */ 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(t1,2,4); tsadd(t10,2,4); } if( ix == 1) d3_init = d3 ; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t10,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); decoffset(dof); obspower(tpwr); decpower(pwClvl); decpwrf(dpwrfC); dec2power(pwNlvl); txphase(zero); dec2phase(zero); delay(d1); dec2rgpulse(pwN, zero, 0.2e-6, 0.0); zgradpulse(gzlvl3, gt3); delay(0.001); rcvroff(); status(B); rgpulse(pw, zero, 1.0e-5, 1.0e-6); delay(2.0e-6); zgradpulse(0.8*gzlvl0,gt0); delay(taua - gt0 - 2.0e-6); sim3pulse(2.0*pw,(double)0.0,2.0*pwN,zero,zero,zero, 1.0e-6, 1.0e-6); delay(taua - gt0 - 500.0e-6); zgradpulse(0.8*gzlvl0,gt0); txphase(one); delay(500.0e-6); rgpulse(pw, one, 1.0e-6, 1.0e-6); delay(2.0e-6); zgradpulse(1.3*gzlvl3, gt3); decpwrf(dfCO180); txphase(zero); delay(200.0e-6); dec2rgpulse(pwN, zero, 0.0, 0.0); delay(2.0e-6); zgradpulse(gzlvl0, gt0); delay(taub - gt0 - 2.0*pw - 2.0e-6); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(bigT - taub - WFG3_START_DELAY); sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,zero,0.0,0.0); delay(bigT - gt0 - WFG3_STOP_DELAY - 1.0e-3); zgradpulse(gzlvl0, gt0); delay(1.0e-3); dec2rgpulse(pwN, zero, 0.0, 0.0); delay(2.0e-6); zgradpulse(gzlvl9, gt9); decpwrf(dpwrfC); decphase(t3); delay(200.0e-6); if(ref_flg[A] != 'y') { decrgpulse(pwC, t3, 0.0, 0.0); delay(2.0e-6); if(gt6 > 0.2e-6) zgradpulse(gzlvl6, gt6); decpwrf(dfCO180); txphase(t1); delay(bigTCO - gt6 - 2.0e-6); rgpulse(pw, t1, 0.0, 0.0); if(tau1 >(pwCab180/2.0 + WFG_START_DELAY +WFG_STOP_DELAY+ POWER_DELAY + pwCO180/2.0)) { decpwrf(dfCab180); delay(tau1 - pwCab180/2.0 - WFG_START_DELAY - POWER_DELAY); decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0); decpwrf(dfCO180); delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY); decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); decpwrf(dfCab180); delay(tau1-pwCO180/2.0-pwCab180/2.0-WFG_STOP_DELAY-WFG_START_DELAY-POWER_DELAY); decshaped_pulse("offC27", pwCab180, zero, 0.0, 0.0); txphase(zero); delay(tau1 - pwCab180/2.0 - WFG_STOP_DELAY); } else { delay(2.0*tau1); decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); txphase(zero); delay(2.0*tau1); } rgpulse(pw, zero, 0.0, 0.0); delay(bigTCO - gt6 - POWER_DELAY - 1.0e-3); if (gt6 > 0.2e-6) zgradpulse(gzlvl6, gt6); decpwrf(dpwrfC); delay(1.0e-3); decrgpulse(pwC, zero, 0.0, 0.0); } else { decrgpulse(pwC, t3, 0.0, 0.0); decpwrf(dfCa180); sim3shaped_pulse("","offC17","",0.0e-6,pwCa180,0.0e-6,zero,zero,zero,2.0e-6,0.0); delay(2.0e-6); if(gt6 > 0.2e-6) zgradpulse(gzlvl6, gt6); decpwrf(dfCO180); delay(bigTCO - 2.0*tau1 - maxcan - gt6 - 2.0*POWER_DELAY - 4.0e-6); decshaped_pulse("offC8", pwCO180, zero, 0.0, 0.0); delay(bigTCO - gt6 - maxcan - 2.0*POWER_DELAY - 1.0e-3); if (gt6 > 0.2e-6) zgradpulse(gzlvl6, gt6); decpwrf(dfCa180); delay(1.0e-3); sim3shaped_pulse("","offC17","",2.0*pw,pwCa180,2.0*pwN,zero,zero,zero,0.0,0.0); decpwrf(dpwrfC); delay(2.0*tau1); decrgpulse(pwC, t1, 2.0e-6, 0.0); } delay(2.0e-6); zgradpulse(gzlvl7, gt7); decpwrf(dfCO180); dec2phase(t2); delay(200.0e-6); dec2rgpulse(pwN, t2, 0.0, 0.0); delay(bigTN - tau2); dec2phase(t4); sim3shaped_pulse("","offC8","",(double)0.0,pwCO180,2.0*pwN,zero,zero,t4,0.0,0.0); decpwrf(dfCa180); delay(bigTN - taub - WFG_STOP_DELAY - POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(taub - 2.0*pw - gt1 - 1.0e-3 - 6.0*GRADIENT_DELAY); if (mag_flg[A] == 'y') { magradpulse(gzcal*gzlvl1, gt1); } else { zgradpulse(gzlvl1, gt1); delay(4.0*GRADIENT_DELAY); } dec2phase(t5); delay(1.0e-3); decshaped_pulse("offC17", pwCa180, zero, 0.0, 0.0); delay(tau2); sim3pulse(pw,(double)0.0, pwN, zero,zero, t5, 0.0, 0.0); dec2phase(zero); delay(2.0e-6); zgradpulse(0.8*gzlvl5, gt5); delay(taua - gt5 - 2.0e-6); sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0); delay(taua - gt5 - 500.0e-6); zgradpulse(0.8*gzlvl5, gt5); txphase(one); decphase(one); delay(500.0e-6); sim3pulse(pw,(double)0.0, pwN, one,zero, one, 0.0, 0.0); delay(2.0e-6); txphase(zero); dec2phase(zero); zgradpulse(gzlvl5, gt5); delay(taua - gt5 - 2.0e-6); sim3pulse(2.0*pw,(double)0.0, 2.0*pwN, zero,zero, zero, 0.0, 0.0); delay(taua - gt5 - 2.0*POWER_DELAY - 500.0e-6); zgradpulse(gzlvl5, gt5); decpower(dpwr); dec2power(dpwr2); delay(500.0e-6); rgpulse(pw, zero, 0.0, 0.0); delay(1.0e-4 +gstab + gt1/10.0 - 0.5*pw + 6.0*GRADIENT_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(2.0e-6); if(mag_flg[A] == 'y') { magradpulse(icosel*gzcal*gzlvl2, gt1/10.0); } else { zgradpulse(icosel*gzlvl2, gt1/10.0); delay(4.0*GRADIENT_DELAY); } delay(1.0e-4 - 2.0e-6); statusdelay(C,1.0e-4); setreceiver(t10); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */ C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1*/ NH2only[MAXSTR], /* spectrum of only NH2 groups */ amino[MAXSTR], /* select amino nitrogens */ imino[MAXSTR], /* select imino nitrogens */ T1[MAXSTR], /* insert T1 relaxation delay */ T1rho[MAXSTR], /* insert T1rho relaxation delay */ T2[MAXSTR], /* insert T2 relaxation delay */ bottom[MAXSTR], right[MAXSTR], TROSY[MAXSTR]; /* do TROSY on N15 and H1 */ int icosel, /* used to get n and p type */ t1_counter, /* used for states tppi in t1 */ rTnum, /* number of relaxation times, relaxT */ rTcounter; /* to obtain maximum relaxT, ie relaxTmax */ double tau1, /* t1 delay */ lambda = 0.91/(4.0*getval("JNH")), /* 1/4J H1 evolution delay */ tNH = 1.0/(4.0*getval("JNH")), /* 1/4J N15 evolution delay */ relaxT = getval("relaxT"), /* total relaxation time */ rTarray[1000], /* to obtain maximum relaxT, ie relaxTmax */ maxrelaxT = getval("maxrelaxT"), /* maximum relaxT in all exps */ ncyc, /* number of pulsed cycles in relaxT */ /* the sech/tanh pulse is automatically calculated by the macro "rna_cal", */ /* and is called directly from your shapelib. */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rfC, /* maximum fine power when using pwC pulses */ rfst, /* fine power for the rna_stC140 pulse */ /* temporary Pbox parameters */ bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ compH = getval("compH"), /* adjustment for H1 amplifier compression */ compN = getval("compN"), /* adjustment for N15 amplifier compression */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ calH = getval("calH"), /* multiplier on a pw pulse for H1 calibration */ pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */ tpwrs, /* power for the pwHs ("H2Osinc") pulse */ pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ calN = getval("calN"), /* multiplier on a pwN pulse for calibration */ slNlvl, /* power for N15 spin lock */ slNrf = 1500.0, /* RF field in Hz for N15 spin lock at 600 MHz */ dof2a, /* offset for imino/amino */ sw1 = getval("sw1"), gt1 = getval("gt1"), /* coherence pathway gradients */ gzcal = getval("gzcal"), /* dac to G/cm conversion */ gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), BPpwrlimits, /* =0 for no limit, =1 for limit */ gt0 = getval("gt0"), /* other gradients */ gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"); P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1); getstr("f1180",f1180); getstr("mag_flg",mag_flg); getstr("C13refoc",C13refoc); getstr("NH2only",NH2only); getstr("T1",T1); getstr("T1rho",T1rho); getstr("T2",T2); getstr("bottom",bottom); getstr("right",right); getstr("TROSY",TROSY); getstr("imino",imino); getstr("amino",amino); /* LOAD PHASE TABLE */ settable(t3,2,phi3); if (TROSY[A]=='y') { settable(t1,1,ph_x); if (bottom[A]=='y') settable(t4,1,phx); else settable(t4,1,ph_x); if (right[A]=='y') settable(t10,1,phy); else settable(t10,1,ph_y); settable(t9,1,phx); settable(t11,1,phx); settable(t12,2,recT); } else { settable(t1,1,phx); settable(t4,1,phx); settable(t9,8,phi9); settable(t10,1,phx); settable(t11,1,phy); settable(t12,4,rec); } /* INITIALIZE VARIABLES */ dof2a=dof2; /* IMINO-region setting of dof2 */ if (imino[A] == 'y') dof2a=dof2-45*dfrq2; if (amino[A] == 'y') dof2a=dof2-115*dfrq2; if ((imino[A] == 'n') && (amino[A] == 'n')) dof2a=dof2; /* maximum fine power for pwC pulses (and initialize rfst) */ rfC = 4095.0; rfst=0.0; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* 180 degree adiabatic C13 pulse covers 140 ppm */ if (C13refoc[A]=='y') { rfst = (compC*4095.0*pwC*4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35)); rfst = (int) (rfst + 0.5); if ( 1.0/(4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35)) < pwC ) { text_error( " Not enough C13 RF. pwC must be %f usec or less.\n", (1.0e6/(4000.0*sqrt((21.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); } } /* selective H20 one-lobe sinc pulse */ tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/ tpwrs = (int) (tpwrs); /*power than a square pulse */ } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 140.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000.0; if (C13refoc[A]=='y') stC140 = pbox_makeA("rna_stC140", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); H2Osinc = pbox_Rsh("rna_H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr); if (dm3[B] == 'y') H2ofs = 3.2; ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } if (C13refoc[A]=='y') rfst = stC140.pwrf; pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr; } /* power level for N15 spinlock (90 degree pulse length calculated first) */ slNlvl = 1/(4.0*slNrf*sfrq/600.0) ; slNlvl = pwNlvl - 20.0*log10(slNlvl/(pwN*compN)); slNlvl = (int) (slNlvl + 0.5); /* use 1/8J times for relaxation measurements of NH2 groups */ if ( (NH2only[A]=='y') && ((T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y')) ) { tNH = tNH/2.0; } /* reset calH and calN for 2D if inadvertently left at 2.0 */ if (ni>1.0) { calH=1.0; calN=1.0; } /* CHECK VALIDITY OF PARAMETER RANGES */ if ( ((imino[A] == 'y') && (amino[A] == 'y')) ) { printf(" Choose ONE of the cases: imino='y' OR amino='y' "); psg_abort(1); } if ( ((imino[A] == 'y') && (NH2only[A] == 'y')) ) { printf(" NH2only='y' only valide for amino='y' "); psg_abort(1); } if ((TROSY[A]=='y') && (gt1 < -2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY)) { text_error( " gt1 is too small. Make gt1 equal to %f or more.\n", (-2.0e-4 + pwHs + 1.0e-4 + 2.0*POWER_DELAY) ); psg_abort(1); } if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )) { text_error("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y')) { text_error("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1); } if( dpwr2 > 50 ) { text_error("don't fry the probe, DPWR2 too large! "); psg_abort(1); } if( pw > 50.0e-6 ) { text_error("dont fry the probe, pw too high ! "); psg_abort(1); } if( (pwN > 100.0e-6) && (pwNlvl > 54) ) { text_error("dont fry the probe, pwN too high ! "); psg_abort(1); } /* RELAXATION TIMES AND FLAGS */ /* evaluate maximum relaxT, relaxTmax chosen by the user */ rTnum = getarray("relaxT", rTarray); relaxTmax = rTarray[0]; for (rTcounter=1; rTcounter<rTnum; rTcounter++) if (relaxTmax < rTarray[rTcounter]) relaxTmax = rTarray[rTcounter]; /* compare relaxTmax with maxrelaxT */ if (maxrelaxT > relaxTmax) relaxTmax = maxrelaxT; if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > d1) ) { text_error("Maximum relaxation time, relaxT, is greater than d1 ! "); psg_abort(1); } if ( ((T1[A]=='y') && (T1rho[A]=='y')) || ((T1[A]=='y') && (T2[A]=='y')) || ((T1rho[A]=='y') && (T2[A]=='y')) ) { text_error("Choose only one relaxation measurement ! "); psg_abort(1); } if ( ((T1[A]=='y') || (T1rho[A]=='y')) && ((relaxT*100.0 - (int)(relaxT*100.0+1.0e-4)) > 1.0e-6) ) { text_error("Relaxation time, relaxT, must be zero or multiple of 10msec"); psg_abort(1); } if ( (T2[A]=='y') && (((relaxT+0.01)*50.0 - (int)((relaxT+0.01)*50.0+1.0e-4)) > 1.0e-6) ) { text_error("Relaxation time, relaxT, must be odd multiple of 10msec"); psg_abort(1); } if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.25) && (ix==1) ) { printf("WARNING, sample heating may result in a reduced lock level for relaxT>0.25sec"); } if ( ((T1rho[A]=='y') || (T2[A]=='y')) && (relaxTmax > 0.5) ) { text_error("relaxT greater than 0.5 seconds will heat sample"); psg_abort(1); } if ( ((NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y')) && (TROSY[A]=='y') ) { text_error("TROSY not implemented with NH2 spectrum, or relaxation exps."); psg_abort(1); } if ((TROSY[A]=='y') && (dm2[C] == 'y')) { text_error("Choose either TROSY='n' or dm2='nnn' ! "); psg_abort(1); } /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (TROSY[A]=='y') { if (phase1 == 1) icosel = -1; else { tsadd(t4,2,4); tsadd(t10,2,4); icosel = +1; } } else { if (phase1 == 1) { tsadd(t10,2,4); icosel = +1; } else icosel = -1; } /* Set up f1180 */ tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } tau1 = tau1/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t12,2,4); } /* Correct inverted signals for NH2 only spectra */ if ((NH2only[A]=='y') && (T1[A]=='n') && (T1rho[A]=='n') && (T2[A]=='n')) { tsadd(t3,2,4); } /* BEGIN PULSE SEQUENCE */ status(A); obspower(tpwr); decpower(pwClvl); decpwrf(rfC); dec2power(pwNlvl); dec2offset(dof2a); txphase(zero); decphase(zero); dec2phase(zero); delay(d1); /* xxxxxxxxxxxxxxxxx CONSTANT SAMPLE HEATING FROM N15 RF xxxxxxxxxxxxxxxxx */ if (T1rho[A]=='y') { dec2power(slNlvl); dec2rgpulse(relaxTmax-relaxT, zero, 0.0, 0.0); dec2power(pwNlvl); } if (T2[A]=='y') { ncyc = 8.0*100.0*(relaxTmax - relaxT); if (BPpwrlimits > 0.5) { dec2power(pwNlvl-3.0); /* reduce for probe protection */ pwN=pwN*compN*1.4; } if (ncyc > 0) { initval(ncyc,v1); loop(v1,v2); delay(0.625e-3 - pwN); dec2rgpulse(2*pwN, zero, 0.0, 0.0); delay(0.625e-3 - pwN); endloop(v2); } if (BPpwrlimits > 0.5) { dec2power(pwNlvl); /* restore normal value */ pwN=getval("pwN"); } } /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ rcvroff(); if (TROSY[A]=='n') dec2rgpulse(pwN, zero, 0.0, 0.0); decrgpulse(pwC, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/ zgradpulse(gzlvl0, 0.5e-3); delay(1.0e-4); if (TROSY[A]=='n') dec2rgpulse(pwN, one, 0.0, 0.0); decrgpulse(pwC, one, 0.0, 0.0); zgradpulse(0.7*gzlvl0, 0.5e-3); decpwrf(rfst); txphase(t1); delay(5.0e-4); if(dm3[B] == 'y') /*optional 2H decoupling on */ { lk_hold(); dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0); dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); } rgpulse(calH*pw,t1,0.0,0.0); /* 1H pulse excitation */ txphase(zero); dec2phase(zero); zgradpulse(gzlvl0, gt0); delay(lambda - gt0); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); txphase(one); zgradpulse(gzlvl0, gt0); delay(lambda - gt0); rgpulse(pw, one, 0.0, 0.0); txphase(two); obspower(tpwrs); shaped_pulse("rna_H2Osinc", pwHs, two, 5.0e-5, 0.0); obspower(tpwr); zgradpulse(gzlvl3, gt3); dec2phase(t3); delay(2.0e-4); dec2rgpulse(calN*pwN, t3, 0.0, 0.0); txphase(zero); decphase(zero); /* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 RELAXATION xxxxxxxxxxxxxxxxxxxx */ if ( (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') ) { dec2phase(one); zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */ delay(tNH - gt4 - 2.0*GRADIENT_DELAY); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, one, 0.0, 0.0); zgradpulse(gzlvl4, gt4); /* 2.0*GRADIENT_DELAY */ delay(tNH - gt4 - 2.0*GRADIENT_DELAY); } /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ if (T1[A]=='y') { dec2rgpulse(pwN, one, 0.0, 0.0); dec2phase(three); zgradpulse(gzlvl0, gt0); /* 2.0*GRADIENT_DELAY */ delay(2.5e-3 - gt0 - 2.0*GRADIENT_DELAY - pw); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(2.5e-3 - pw); ncyc = (100.0*relaxT); initval(ncyc,v4); if (ncyc > 0) { loop(v4,v5); delay(2.5e-3 - pw); rgpulse(2.0*pw, two, 0.0, 0.0); delay(2.5e-3 - pw); delay(2.5e-3 - pw); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(2.5e-3 - pw); endloop(v5); } dec2rgpulse(pwN, three, 0.0, 0.0); } /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ /* Theory suggests 8.0 is better than 2PI as RF */ /* field multiplier and experiment confirms this.*/ if (T1rho[A]=='y') /* Shift evolution of 2.0*pwN/PI for one pulse */ { /* at end left unrefocused as for normal sequence*/ delay(1.0/(8.0*slNrf) - pwN); decrgpulse(pwN, zero, 0.0, 0.0); dec2power(slNlvl); /* minimum 5ms spinlock to dephase */ dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); /* spins not locked */ sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0); dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); ncyc = 100.0*relaxT; initval(ncyc,v4); if (ncyc > 0) { loop(v4,v5); dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); sim3pulse(2.0*pw, 0.0, 2.0*pw, two, zero, zero, 0.0, 0.0); dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); sim3pulse(2.0*pw, 0.0, 2.0*pw, zero, zero, zero, 0.0, 0.0); dec2rgpulse((2.5e-3-pw), zero, 0.0, 0.0); endloop(v5); } dec2power(pwNlvl); decrgpulse(pwN, zero, 0.0, 0.0); delay(1.0/(8.0*slNrf) + 2.0*pwN/PI - pwN); } /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ if (T2[A]=='y') { dec2phase(zero); initval(0.0,v3); initval(180.0,v4); if (BPpwrlimits > 0.5) { dec2power(pwNlvl-3.0); /* reduce for probe protection */ pwN=pwN*compN*1.4; } ncyc = 100.0*relaxT; initval(ncyc,v5); loop(v5,v6); initval(3.0,v7); loop(v7,v8); delay(0.625e-3 - pwN); dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); delay(0.625e-3 - pwN); endloop(v8); delay(0.625e-3 - pwN - SAPS_DELAY); add(v4,v3,v3); obsstepsize(1.0); xmtrphase(v3); /* SAPS_DELAY */ dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); delay(0.625e-3 - pwN - pw); rgpulse(2*pw, zero, 0.0, 0.0); delay(0.625e-3 - pwN - pw ); dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); xmtrphase(zero); /* SAPS_DELAY */ delay(0.625e-3 - pwN - SAPS_DELAY); initval(3.0,v9); loop(v9,v10); delay(0.625e-3 - pwN); dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); delay(0.625e-3 - pwN); endloop(v10); endloop(v6); if (BPpwrlimits > 0.5) { dec2power(pwNlvl); /* restore normal value */ pwN=getval("pwN"); } } /* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */ txphase(zero); dec2phase(t9); if ( (NH2only[A]=='y') || (T1[A]=='y') || (T1rho[A]=='y') || (T2[A]=='y') ) { delay(tau1); /* optional sech/tanh pulse in middle of t1 */ if (C13refoc[A]=='y') /* WFG_START_DELAY */ { decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0); delay(tNH - 1.0e-3 - WFG_START_DELAY - 2.0*pw); } else { delay(tNH - 2.0*pw); } rgpulse(2.0*pw, zero, 0.0, 0.0); if (tNH < gt1 + 1.99e-4) delay(gt1 + 1.99e-4 - tNH); delay(tau1); dec2rgpulse(2.0*pwN, t9, 0.0, 0.0); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ txphase(t4); dec2phase(t10); if (tNH > gt1 + 1.99e-4) delay(tNH - gt1 - 2.0*GRADIENT_DELAY); else delay(1.99e-4 - 2.0*GRADIENT_DELAY); } else if (TROSY[A]=='y') { if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) ) { delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */ decshaped_pulse("rna_stC140", 1.0e-3, zero, 0.0, 0.0); delay(tau1 - 0.5e-3); } else delay(2.0*tau1); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ delay(2.0e-4 - 2.0*GRADIENT_DELAY); dec2rgpulse(2.0*pwN, t9, 0.0, 0.0); delay(gt1 + 2.0e-4 - pwHs - 1.0e-4 - 2.0*POWER_DELAY); txphase(three); obspower(tpwrs); /* POWER_DELAY */ shaped_pulse("rna_H2Osinc", pwHs, three, 5.0e-5, 0.0); txphase(t4); obspower(tpwr); /* POWER_DELAY */ delay(5.0e-5); } else { /* fully-coupled spectrum */ if (dm2[C]=='n') { rgpulse(2.0*pw, zero, 0.0, 0.0); pw=0.0; } if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) ) { delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */ simshaped_pulse("", "rna_stC140", 2.0*pw, 1.0e-3, zero, zero, 0.0, 0.0); delay(tau1 - 0.5e-3); delay(gt1 + 2.0e-4); } else { delay(tau1); rgpulse(2.0*pw, zero, 0.0, 0.0); delay(gt1 + 2.0e-4 - 2.0*pw); delay(tau1); } decphase(zero); pw=getval("pw"); dec2rgpulse(2.0*pwN, t9, 0.0, 0.0); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ txphase(t4); dec2phase(t10); delay(2.0e-4 - 2.0*GRADIENT_DELAY); } if (T1rho[A]=='y') delay(POWER_DELAY); /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0); else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl5, gt5); if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5); else delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl5, gt5); txphase(one); dec2phase(t11); delay(lambda - 1.3*pwN - gt5); sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(1.5*gzlvl5, gt5); delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); dec2phase(t10); zgradpulse(1.5*gzlvl5, gt5); if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5); else delay(lambda - 0.65*pwN - gt5); if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0); else rgpulse(pw, zero, 0.0, 0.0); delay((gt1/10.0) + 1.0e-4 - 0.65*pw + 2.0*GRADIENT_DELAY + POWER_DELAY); if (dm3[B] == 'y') /*optional 2H decoupling off */ { dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank(); setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank(); } rgpulse(2.0*pw, zero, 0.0, rof1); dec2power(dpwr2); /* POWER_DELAY */ if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, 0.1*gt1); else zgradpulse(icosel*gzlvl2, 0.1*gt1); /* 2.0*GRADIENT_DELAY */ rcvron(); statusdelay(C,1.0e-4-rof1); if (dm3[B] == 'y') { delay(1/dmf3); lk_sample(); } setreceiver(t12); }
void pulsesequence() { /* DECLARE VARIABLES */ char autocal[MAXSTR], /* auto-calibration flag */ fsat[MAXSTR], fscuba[MAXSTR], f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ shib[MAXSTR], /* iburp for inversion during first inept */ Hshp[MAXSTR], /* proton inversion during chirp */ ddseq[MAXSTR], shreb[MAXSTR], /* reburb hard during t2 */ co_shp[MAXSTR], /* shape of co 180 at 176 ppm */ CT_flg[MAXSTR], codecseq[MAXSTR], c180_flg[MAXSTR], n_shift[MAXSTR], shibca[MAXSTR], shibcai[MAXSTR]; int phase, phase2, t2_counter, ni2, ni, t1_counter; /* used for states tppi in t2,t1 */ double tau1, /* t1 delay */ tau2, /* t2 delay */ taua, /* ~ 1/4JCH = 1.7 ms; first inept */ mix, /* noesy mixing time */ TC, /* Variable CT period during t1 1/2JCC */ TC2, /* Variable CT period during t3 1/2JCC */ pwc, /* 90 c pulse at dhpwr */ tsatpwr, /* low level 1H trans.power for presat */ dhpwr, /* power level for high power 13C pulses on dec1 */ sw1, /* sweep width in f1 */ sw2, /* sweep width in f2 */ pwC,pwClvl,compC,pwN,pwNlvl,ppm,ofs,bw, /*used by Pbox */ d_ib, pwib, pwhshp, pwd1, /* 2H flip back pulses */ d_reb, pwreb, ph_reb, ph_reb1, /* only used if CT_flg=='y' and n_shift=='y' */ pwco180, dhpwr2, pwn, d_co180, pwcodec, /* carbon pw90 for seduce decoupling */ dpwrsed, dressed, d_ibca, /* power level for selective 13Ca pulse during CT-t2 */ pwibca, /* selective 13Ca pulse width */ gt1, gt2, gt3, gt4, gt5, gt6, gt7, gt8, gt9, gt10, gt11, gt12, gstab, gzlvl1, gzlvl2, gzlvl3, gzlvl4, gzlvl5, gzlvl6, gzlvl7, gzlvl8, gzlvl9, gzlvl10, gzlvl11, gzlvl12; /* variables commented out are already defined by the system */ /* LOAD VARIABLES */ getstr("autocal",autocal); getstr("fsat",fsat); getstr("f1180",f1180); getstr("f2180",f2180); getstr("fscuba",fscuba); getstr("ddseq",ddseq); getstr("n_shift",n_shift); getstr("Hshp",Hshp); getstr("CT_flg",CT_flg); getstr("c180_flg",c180_flg); compC = getval("compC"); pwN=getval("pwN"); pwNlvl=getval("pwNlvl"); pwC = getval("pwC"); pwClvl=getval("pwClvl"); pwhshp = getval("pwhshp"); taua = getval("taua"); mix = getval("mix"); TC = getval("TC"); pwc = getval("pwc"); tpwr = getval("tpwr"); tsatpwr = getval("tsatpwr"); dhpwr = getval("dhpwr"); dpwr = getval("dpwr"); phase = (int) ( getval("phase") + 0.5); phase2 = (int) ( getval("phase2") + 0.5); sw1 = getval("sw1"); sw2 = getval("sw2"); ni2 = getval("ni2"); ni = getval("ni"); pwd1 = getval("pwd1"); ph_reb = getval("ph_reb"); ph_reb1 = getval("ph_reb1"); TC2 = getval("TC2"); dhpwr2 = getval("dhpwr2"); pwn = getval("pwn"); setautocal(); if(autocal[0]=='n') { getstr("shreb",shreb); getstr("shib",shib); getstr("shibca",shibca); getstr("shibcai",shibcai); getstr("co_shp",co_shp); getstr("codecseq",codecseq); d_reb = getval("d_reb"); pwreb = getval("pwreb"); d_ib = getval("d_ib"); pwib = getval("pwib"); d_ibca = getval("d_ibca"); pwibca = getval("pwibca"); d_co180 = getval("d_co180"); pwco180 = getval("pwco180"); pwcodec = getval("pwcodec"); dpwrsed = getval("dpwrsed"); dressed = getval("dressed"); } else { /*strcpy(Hshp,"hard"); former declarations using TNMR.h syntax strcpy(shreb,"Preb_5p"); strcpy(shib,"Pib_1p5"); strcpy(shibca,"Pib_35p"); strcpy(shibcai,"Pib_35pi"); strcpy(co_shp,"Psed_156p"); strcpy(codecseq,"Pdec_156p");*/ strcpy(Hshp,"hard"); strcpy(shreb,"Preb_5p"); strcpy(shib,"Pib_1p5"); strcpy(shibca,"Pib_35p"); strcpy(shibcai,"Pib_35pi"); strcpy(co_shp,"Psed_156p"); strcpy(codecseq,"Pdec_156p"); if (FIRST_FID) { ppm = getval("dfrq"); /* These are former declarations (at top) using TNMR.h syntax */ /*REB180 "reburp 110p 5p"*/ /* RE-BURP 180 on Cab at 24.6 ppm, 5 ppm away */ /*IB180 "iburp2 24.4p 1.5p"*/ /* I-BURP 180 on Me at 21.1 ppm, 1.5 ppm away */ /*IBCA "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */ /*IBCAI "iburp2 24.4p 35p"*/ /* I-BURP 180 on Cab at 54.6 ppm, 35 ppm away */ /*CO180 "seduce 30p 156p"*/ /* SEDUCE 180 on C' at 175.6 ppm 156 ppm away */ /*CODEC "WURST2 20p/4m 156p"*/ /* WURST2 decoupling on C' at 175.6 ppm 156 ppm away */ /*REB180ps "-stepsize 0.5 -attn i"*/ /* seduce 180 shape parameters */ /*CODECps "-dres 1.0 -maxincr 20.0 -attn i"*/ /*co180 = pbox(co_shp, CO180, REB180ps, dfrq, compC*pwc, dhpwr);*/ /*ibcai = pbox(shibcai, IBCAI, REB180ps, dfrq, compC*pwc, dhpwr);*/ /*ibca = pbox(shibca, IBCA, REB180ps, dfrq, compC*pwc, dhpwr);*/ /*ib180 = pbox(shib, IB180, REB180ps, dfrq, compC*pwc, dhpwr);*/ /*reb = pbox(shreb, REB180, REB180ps, dfrq, compC*pwc, dhpwr);*/ /*COdec = pbox(codecseq, CODEC, CODECps, dfrq, compC*pwc, dhpwr);*/ bw = 110.0*ppm; ofs = 5.0*ppm; Preb_5p = pbox_Rsh("Preb_5p", "reburp", bw , ofs, compC*pwC, pwClvl); bw = 24.4*ppm; ofs = 1.5*ppm; Pib_1p5 = pbox_Rsh("Pib_1p5", "iburp2", bw , ofs, compC*pwC, pwClvl); bw = 24.4*ppm; ofs = 35*ppm; Pib_35p = pbox_Rsh("Pib_35p", "iburp2", bw , ofs, compC*pwC, pwClvl); bw = 24.4*ppm; ofs = 35*ppm; Pib_35pi = pbox_Rsh("Pib_35pi", "iburp2", bw , ofs, compC*pwC, pwClvl); bw = 30.0*ppm; ofs = 156*ppm; Psed_156p = pbox_Rsh("Psed_156p", "seduce", bw , ofs, compC*pwC, pwClvl); bw = 20.0*ppm; ofs = 156*ppm; Pdec_156p = pbox_Dsh("Pdec_156p", "WURST2", bw , ofs, compC*pwC, pwClvl); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } d_reb = Preb_5p.pwr; pwreb = Preb_5p.pw; d_ib = Pib_1p5.pwr; pwib = Pib_1p5.pw; d_ibca = Pib_35p.pwr; pwibca = Pib_35p.pw; d_co180 = Psed_156p.pwr; pwco180 = Psed_156p.pw; dpwrsed = Pdec_156p.pwr; pwcodec = 1.0/Pdec_156p.dmf; dressed = Pdec_156p.dres; pwc=pwC; dhpwr=pwClvl; pwn=pwN; dhpwr2=pwNlvl; pwhshp=2.0*pw; pwd1=1/dmf3; pwhshp=2.0*pw; } gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gt7 = getval("gt7"); gt8 = getval("gt8"); gt9 = getval("gt9"); gt10 = getval("gt10"); gt11 = getval("gt11"); gt12 = getval("gt12"); gstab = getval("gstab"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); gzlvl7 = getval("gzlvl7"); gzlvl8 = getval("gzlvl8"); gzlvl9 = getval("gzlvl9"); gzlvl10 = getval("gzlvl10"); gzlvl11 = getval("gzlvl11"); gzlvl12 = getval("gzlvl12"); /* LOAD PHASE TABLE */ settable(t1,4,phi1); settable(t2,8,phi2); settable(t7,2,phi7); settable(t8,2,phi8); settable(t9,8,rec); /* CHECK VALIDITY OF PARAMETER RANGES */ if(TC/2.0 - 0.5*(ni-1)*1/(sw1) - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - pwd1 - gt4 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY < 0.2e-6) { printf(" ni is too big\n"); psg_abort(1); } if(CT_flg[A] == 'y' && n_shift[A] == 'n') { if(TC2/2.0 - 0.5*(ni2-1)*1/(sw2) - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - pwd1 - gt10 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY < 0.2e-6) { printf(" ni2 is too big\n"); psg_abort(1); } } if(CT_flg[A] == 'y' && n_shift[A] == 'y') { if(TC2/2.0 - 0.5*(ni2-1)/sw2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1 - gt10 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY < 0.2e-6) { printf(" ni2 is too big\n"); psg_abort(1); } } if((dm[A] == 'y' || dm[B] == 'y' )) { printf("incorrect dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y')) { printf("incorrect dec2 decoupler flags! "); psg_abort(1); } if((dm3[A] == 'y' || dm3[B] == 'y' || dm3[C] == 'y')) { printf("incorrect dec3 decoupler flags! "); psg_abort(1); } if( tsatpwr > 6 ) { printf("TSATPWR too large !!! "); psg_abort(1); } if( dpwr > 48 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } if( d_ib > 54 ) { printf("don't fry the probe, d_ib too large! "); psg_abort(1); } if( dpwr2 > 49 ) { printf("don't fry the probe, DPWR2 too large! "); psg_abort(1); } if( dpwr3 > 51 ) { printf("don't fry the probe, DPWR3 too large! "); psg_abort(1); } if( dhpwr > 63 ) { printf("don't fry the probe, DHPWR too large! "); psg_abort(1); } if( pw > 200.0e-6 ) { printf("dont fry the probe, pw too high ! "); psg_abort(1); } if( pwd1 < 100.0e-6 && pwd1 != 0.0) { printf("dont fry the probe, pwd1 too short and dpwr3 too high! "); psg_abort(1); } if(d_co180 > 50) { printf("dont fry the probe, d_co180 is too high\n "); psg_abort(1); } if(((pwco180 > 250e-6) || (pwco180 < 200e-6)) && (autocal[A] == 'n')) { printf("pwco180 is misset < 250 us > 200 us\n"); psg_abort(1); } if(dpwrsed > 45) { printf("dpwrsed is misset < 46\n"); psg_abort(1); } if(gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 || gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 || gt7 > 15e-3 || gt8 > 15e-3 || gt9 > 15e-3 || gt10 > 15e-3 || gt11 > 15e-3 || gt12 > 15e-3) { printf("gradients on for too long. Must be < 15e-3 \n"); psg_abort(1); } /* Phase incrementation for hypercomplex 2D data */ if (phase2 == 2) { tsadd(t2,1,4); } if (phase == 2) tsadd(t1,1,4); /* Set up f2180 tau2 = t2 */ tau2 = d3; if(CT_flg[A] == 'y') { if(f2180[A] == 'y') { tau2 += ( 1.0 / (2.0*sw2) ); } } if(CT_flg[A] == 'n' && n_shift[A] == 'n') { if(f2180[A] == 'y') { tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6); if(tau2 < 0.0 && ix == 1) printf("tau2 start2 negative; decrease sw2\n"); } if(f2180[A] == 'n') { tau2 = ( tau2 - 4.0/PI*pwc - POWER_DELAY - PRG_START_DELAY - 4.0*pw - 4.0e-6 - 2.0*pwn - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6); } } if(CT_flg[A] == 'n' && n_shift[A] == 'y') { if(f2180[A] == 'y') { tau2 += ( 1.0 / (2.0*sw2) - 4.0/PI*pwn - POWER_DELAY - PRG_START_DELAY - 4.0*pw - 4.0e-6 - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6); if(tau2 < 0.0 && ix == 1) printf("tau2 start2 negative; decrease sw2\n"); } if(f2180[A] == 'n') { tau2 = ( tau2 - 4.0/PI*pwn - POWER_DELAY - PRG_START_DELAY - 4.0*pw - 4.0e-6 - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6); } } if(tau2 < 0.4e-6) tau2 = 0.4e-6; tau2 = tau2/2.0; /* Set up f1180 tau1 = t1 */ tau1 = d2; if(f1180[A] == 'y') { tau1 += ( 1.0 / (2.0*sw1) ); } if(tau1 < 0.4e-6) tau1 = 0.4e-6; tau1 = tau1/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2 ; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t9,2,4); } if( ix == 1) d3_init = d3 ; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t9,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); obspower(tsatpwr); /* Set transmitter power for 1H presaturation */ decpower(dhpwr); /* Set Dec1 power for hard 13C pulses */ dec2power(dhpwr2); /* Set Dec2 power for hard 15N pulses */ dec3power(dpwr3); /* Set Dec3 power for 2H pulses */ /* Presaturation Period */ if (fsat[0] == 'y') { delay(2.0e-5); rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat */ obspower(tpwr); /* Set transmitter power for hard 1H pulses */ delay(2.0e-5); if(fscuba[0] == 'y') { delay(2.2e-2); rgpulse(pw,zero,2.0e-6,0.0); rgpulse(2*pw,one,2.0e-6,0.0); rgpulse(pw,zero,2.0e-6,0.0); delay(2.2e-2); } } else { delay(d1); } obspower(tpwr); /* Set transmitter power for hard 1H pulses */ txphase(zero); dec2phase(zero); decphase(zero); delay(1.0e-5); /* Begin Pulses */ status(B); rcvroff(); lk_hold(); delay(20.0e-6); /* first ensure that magnetization does infact start on H and not C */ decrgpulse(pwc,zero,2.0e-6,2.0e-6); delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); decpower(d_ib); /* set power for chirp during inept */ delay(4e-6); /* this is the real start */ rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */ delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(2.0e-6); delay(taua - gt2 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */ simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0); decphase(zero); txphase(one); decphase(t1); decpower(dhpwr); delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(2.0e-6); delay(taua - gt2 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY); rgpulse(pw,one,0.0,0.0); txphase(zero); delay(2.0e-6); zgradpulse(gzlvl3,gt3); delay(gstab); decrgpulse(pwc,t1,0.0,0.0); decphase(zero); delay(tau1); decpower(d_co180); sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0); delay(TC/2.0 - tau1 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - pwd1 - gt4 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY); dec3rgpulse(pwd1,zero,0.0,0.0); delay(tau1); delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); initval(1.0,v3); decstepsize(ph_reb); dcplrphase(v3); decpower(d_reb); decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0); dcplrphase(zero); decphase(zero); decpower(dhpwr); delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); delay(TC/2.0 - tau1 - WFG_STOP_DELAY - POWER_DELAY - gt4 - gstab -2.0e-6); decrgpulse(pwc,zero,0.0,0.0); dec3rgpulse(pwd1,two,4.0e-6,0.0); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(gstab); rgpulse(pw,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab); decpower(d_ib); delay(taua - gt6 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY); simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0); decphase(zero); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab); decpower(dhpwr); txphase(one); delay(taua - gt6 - gstab -2.0e-6 - POWER_DELAY - WFG2_STOP_DELAY); rgpulse(pw,one,0.0,0.0); txphase(zero); delay(mix - gt7 - 352.0e-6); decrgpulse(pwc,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl7,gt7); delay(gstab); decpower(d_ib); /* set power level for iburp */ rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */ delay(2.0e-6); zgradpulse(gzlvl8,gt8); delay(2.0e-6); if(n_shift[A] == 'n') { delay(taua - gt8 - 4.0e-6 - WFG2_START_DELAY); /* taua <= 1/4JCH */ simshaped_pulse(Hshp,shib,pwhshp,pwib,zero,zero,0.0,0.0); decphase(zero); } else { delay(taua - gt8 - 4.0e-6 - WFG3_START_DELAY); sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,zero,zero,zero,0.0,0.0); } txphase(one); decphase(t2); decpower(dhpwr); delay(2.0e-6); zgradpulse(gzlvl8,gt8); delay(2.0e-6); if(n_shift[A] == 'n') delay(taua - gt8 - 4.0e-6 - WFG2_STOP_DELAY - POWER_DELAY); else delay(taua - gt8 - 4.0e-6 - WFG3_STOP_DELAY - POWER_DELAY); rgpulse(pw,one,0.0,0.0); txphase(zero); delay(2.0e-6); zgradpulse(gzlvl9,gt9); delay(gstab); if(CT_flg[A] == 'y' && n_shift[A] == 'n') { decrgpulse(pwc,t2,0.0,0.0); decphase(zero); delay(tau2); decpower(d_co180); sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,2.0*pwn,zero,zero,zero,4.0e-6,0.0); delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - pwd1 - gt10 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG_START_DELAY); dec3rgpulse(pwd1,zero,0.0,0.0); delay(tau2); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(gstab); initval(1.0,v4); decstepsize(ph_reb); dcplrphase(v4); decpower(d_reb); decshaped_pulse(shreb,pwreb,zero,4.0e-6,0.0); dcplrphase(zero); decphase(zero); decpower(dhpwr); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(gstab); delay(TC2/2.0 - tau2 - WFG_STOP_DELAY - POWER_DELAY - gt10 - gstab -2.0e-6); decrgpulse(pwc,zero,0.0,0.0); dec3rgpulse(pwd1,two,4.0e-6,0.0); } if(CT_flg[A] == 'y' && n_shift[A] == 'y') { dec2phase(t2); delay(2.0e-6); dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0); sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0); dec2rgpulse((pwn-pwc)/2.0,t2,0.0,0.0); decphase(zero); delay(tau2); decphase(zero); decpower(d_co180); sim3shaped_pulse(Hshp,co_shp,"hard",pwhshp,pwco180,0.0e-6,zero,zero,zero,4.0e-6,2.0e-6); decpower(d_ibca); decshaped_pulse(shibca,pwibca,zero,4.0e-6,0.0); decphase(zero); delay(TC2/2.0 - tau2 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY - pwco180 - WFG3_STOP_DELAY - 2.0e-6 - POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwibca - WFG_STOP_DELAY - pwd1 - gt10 - gstab -2.0e-6 - POWER_DELAY - 4.0e-6 - WFG3_START_DELAY); dec3rgpulse(pwd1,zero,0.0,0.0); delay(tau2); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(gstab); initval(1.0,v4); decstepsize(ph_reb1); dcplrphase(v4); decpower(d_reb); sim3shaped_pulse("hard",shreb,"hard",0.0e-6,pwreb,2.0*pwn,zero,zero,zero,4.0e-6,0.0); dcplrphase(zero); decphase(t7); decpower(d_ibca); decshaped_pulse(shibcai,pwibca,t7,4.0e-6,0.0); decpower(dhpwr); decphase(zero); delay(2.0e-6); zgradpulse(gzlvl10,gt10); delay(gstab); delay(TC2/2.0 - tau2 - WFG3_STOP_DELAY - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwibca - WFG_STOP_DELAY - POWER_DELAY - gt10 - gstab -2.0e-6); dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0); sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0); dec2rgpulse((pwn-pwc)/2.0,zero,0.0,0.0); dec3rgpulse(pwd1,two,4.0e-6,0.0); } if(CT_flg[A] == 'n' && n_shift[A] == 'n') { txphase(one); decrgpulse(pwc,t2,0.0,0.0); if(c180_flg[A] == 'n') { decphase(zero); /* seduce on */ decpower(dpwrsed); decprgon(codecseq,pwcodec,dressed); decon(); /* seduce on */ delay(tau2); rgpulse(pw,one,0.0,0.0); rgpulse(2.0*pw,zero,2.0e-6,0.0); rgpulse(pw,one,2.0e-6,0.0); dec2rgpulse(2.0*pwn,zero,0.0,0.0); delay(tau2); /* seduce off */ decoff(); decprgoff(); decpower(dhpwr); /* seduce off */ } else decrgpulse(2.0*pwc,zero,4.0e-6,0.0); decrgpulse(pwc,zero,4.0e-6,0.0); } if(CT_flg[A] == 'n' && n_shift[A] == 'y') { txphase(one); dec2phase(t2); dec2rgpulse((PI-2.0)/PI*(pwn-pwc),t2,2.0e-6,0.0); sim3pulse(0.0e-6,pwc,pwc,zero,t2,t2,0.0,0.0); dec2rgpulse((2.0/PI)*(pwn-pwc),t2,0.0,0.0); if(c180_flg[A] == 'n') { decphase(zero); /* seduce on */ decpower(dpwrsed); decprgon(codecseq,pwcodec,dressed); decon(); /* seduce on */ delay(tau2); rgpulse(pw,one,0.0,0.0); rgpulse(2.0*pw,zero,2.0e-6,0.0); rgpulse(pw,one,2.0e-6,0.0); delay(tau2); /* seduce off */ decoff(); decprgoff(); /* note that ca-n evolves ; keep t2,max <= 9.5ms */ decpower(dhpwr); /* seduce off */ } else sim3pulse(0.0,2.0*pwc,2.0*pwn,zero,zero,zero,4.0e-6,0.0); dec2rgpulse((2.0/PI)*(pwn-pwc),zero,4.0e-6,0.0); sim3pulse(0.0e-6,pwc,pwc,zero,zero,zero,0.0,0.0); dec2rgpulse((PI-2.0)/PI*(pwn-pwc),zero,0.0,0.0); } delay(2.0e-6); zgradpulse(gzlvl11,gt11); delay(gstab); lk_sample(); rgpulse(pw,t8,4.0e-6,0.0); /* 90 deg 1H pulse */ delay(2.0e-6); zgradpulse(gzlvl12,gt12); delay(2.0e-6); decpower(d_ib); if(n_shift[A] == 'n') { delay(taua - gt12 - 4.0e-6 - WFG2_START_DELAY - POWER_DELAY); simshaped_pulse(Hshp,shib,pwhshp,pwib,t8,zero,0.0,0.0); decphase(zero); } else { delay(taua - gt12 - 4.0e-6 - WFG3_START_DELAY - POWER_DELAY); sim3shaped_pulse(Hshp,shib,"hard",pwhshp,pwib,2.0*pwn,t8,zero,zero,0.0,0.0); } delay(2.0e-6); zgradpulse(gzlvl12,gt12); delay(2.0e-6); if(n_shift[A] == 'n') delay(taua - gt12 - 4.0e-6 - WFG2_STOP_DELAY - 2.0*POWER_DELAY); else delay(taua - gt12 - 4.0e-6 - WFG3_STOP_DELAY - 2.0*POWER_DELAY); decpower(dpwr); /* Set power for decoupling */ dec2power(dpwr2); /* Set power for decoupling */ rgpulse(pw,t8,0.0,rof2); /* BEGIN ACQUISITION */ status(C); setreceiver(t9); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ mag_flg[MAXSTR], /*magic angle gradient*/ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ codecseq[MAXSTR]; /* sequence for 13C' decoupling */ int icosel1, /* used to get n and p type */ icosel2, t1_counter, /* used for states tppi in t1 */ 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"), del3 = getval("del3"), del4 = getval("del4"), TC = getval("TC"), satpwr = getval("satpwr"), waltzB1 = getval("waltzB1"), spinlock = getval("spinlock"), pwco,copwr, cores,codmf, kappa, 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-2 at rfd */ rfd, /* fine power for 7 kHz rf for 500MHz magnet */ 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 */ pwHd, /* H1 90 degree pulse length at tpwrd */ tpwrd, /*rf for WALTZ decoupling */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt1 = getval("gt1"), /* coherence pathway gradients */ gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/ gstab = getval("gstab"), 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("mag_flg",mag_flg); getstr("f1180",f1180); getstr("f2180",f2180); getstr("codecseq",codecseq); /* LOAD PHASE TABLE */ settable(t1,2,phi1); settable(t2,1,phi2); settable(t3,1,phi3); settable(t4,1,phi4); settable(t11,2,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; /* dipsi-3 decoupling 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); /* power level and pulse time for WALTZ 1H decoupling */ pwHd = 1/(4.0 * waltzB1) ; tpwrd = tpwr - 20.0*log10(pwHd/(pw)); tpwrd = (int) (tpwrd + 0.5); /* activate auto-calibration flags */ setautocal(); if (autocal[0] == 'n') { codmf= getval("codmf"); pwco = 1.0/codmf; /* pw for 13C' decoupling field */ copwr = getval("copwr"); /* power level for 13C' decoupling */ cores = getval("cores"); /* power level for 13C' decoupling */ } 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=20.0*ppm; ofs=154*ppm; Pdec_154p = pbox_Dsh("Pdec_154p", "WURST2", bw, ofs, compC*pwC, pwClvl); bw=30*ppm; ofs=0.0*ppm; nst = 1000; pws = 0.001; me180 = pbox_makeA("me180", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); } copwr = Pdec_154p.pwr; pwco = 1.0/Pdec_154p.dmf; cores = Pdec_154p.dres; pwme180 = me180.pw; me180pwr= me180.pwr; me180pwrf = me180.pwrf; } /* 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(t2,2,4); icosel1 = -1;} if (phase2 == 2) { tsadd(t4,2,4); icosel2 = -1; tsadd(t2,2,4);} /* 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(t1,2,4); tsadd(t11,2,4); } if(ni > 1) kappa = (double)(t1_counter*(del2)) / ( (double) (ni-1) ); else kappa = 0.0; /* BEGIN PULSE SEQUENCE */ status(A); decoffset(dof-140*dfrq); obspower(tpwr); decpower(pwClvl); dec2power(pwNlvl); decpwrf(rf0); obsoffset(tof); txphase(zero); delay(1.0e-5); if (satmode[A] == 'y') { obspower(satpwr); txphase(zero); rgpulse(d1,zero,20.0e-6,20.0e-6); obspower(tpwr); /* Set power for hard pulses */ } else { obspower(tpwr); /* Set power for hard pulses */ delay(d1); } decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/ zgradpulse(gzlvl1, 0.5e-3); delay(gstab); decrgpulse(pwC, one, 0.0, 0.0); zgradpulse(0.7*gzlvl1, 0.5e-3); delay(1.1*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, 0.0, 0.0); /* 1H pulse excitation */ zgradpulse(gzlvl3, gt3); decphase(zero); delay(0.5*del - gt3); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl3, gt3); txphase(one); decphase(t1); delay(0.5*del - gt3); rgpulse(pw,one,0.0,0.0); zgradpulse(1.8*gzlvl3, gt3); txphase(zero); delay(150e-6); decrgpulse(pwC, t1, 0.0, 0.0); /* decoupling on for carbonyl carbon */ decpwrf(4095.0); decpower(copwr); decprgon(codecseq,pwco,cores); decon(); /* decoupling on for carbonyl carbon */ delay(tau1); dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); zgradpulse(icosel1*gzlvl4, gt1); delay(0.5*del2 - 2.0*pwN - gt1 - 2.0*pw); rgpulse(2.0*pw,zero,0.0,0.0); delay(tau1 - (kappa*tau1)); /* co-decoupling off */ decoff(); decprgoff(); /* co-decoupling off */ decpower(pwClvl); decrgpulse(2.0*pwC, zero, 0.0, 0.0); /* decoupling on for carbonyl carbon */ decpwrf(4095.0); decpower(copwr); decprgon(codecseq,pwco,cores); decon(); /* decoupling on for carbonyl carbon */ delay(0.5*del2 - kappa*tau1); /* co-decoupling off */ decoff(); decprgoff(); /* co-decoupling off */ decpower(pwClvl); decphase(t2); decrgpulse(pwC, t2, 0.0, 0.0); decpwrf(rfd); delay(2.0e-6); 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(); txphase(one); decpwrf(rf0); decphase(t3); obspower(tpwrd); decrgpulse(pwC,t3,0.0,0.0); decoffset(dof - 155*dfrq); rgpulse(pwHd,one,0.0,2.0e-6); txphase(zero); obsunblank(); obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */ xmtron(); delay(TC - OFFSET_DELAY - POWER_DELAY - PRG_START_DELAY - tau2); decrgpulse(2.0*pwC, zero, 0.0, 0.0); delay(TC + tau2 - POWER_DELAY - PRG_STOP_DELAY - 2*gt1 - gstab - 2.0*pw); xmtroff(); obsprgoff(); obsblank(); rgpulse(pwHd,three,2.0e-6,0.0); obspower(tpwr); if (mag_flg[A] =='y') magradpulse(gzcal*icosel2*gzlvl2, gt1); else zgradpulse(icosel2*gzlvl2, gt1); delay(gstab/2.0); rgpulse(2.0*pw,zero,0.0,0.0); if (mag_flg[A] =='y') magradpulse(gzcal*icosel2*gzlvl2, gt1); else zgradpulse(icosel2*gzlvl2, gt1); delay(gstab/2.0); decphase(zero); simpulse(0.0,pwC, two, zero, 0.0, 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(t4); delay(0.5*del1 - gt5); simpulse(pw, pwC, one, t4, 0.0, 0.0); zgradpulse(gzlvl6, gt5); txphase(zero); decphase(zero); delay(0.5*del4 - gt5); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl6, gt5); delay(0.5*del4 - gt5); simpulse(pw,pwC,zero,zero,0.0,0.0); zgradpulse(2.3*gzlvl6, gt1); if (autocal[A] == 'y') { decpower(me180pwr); decpwrf(me180pwrf); delay(0.5*del3 - gt1 - 0.0005 -2.0*POWER_DELAY- WFG2_START_DELAY); simshaped_pulse("","me180",2.0*pw,0.001, zero, zero, 0.0, 0.0); decpwrf(rf0); decphase(zero); } else { delay(0.5*del3 - 0.5*pwC - gt1); simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0); } decpower(dpwr); if (mag_flg[A] == 'y') magradpulse(gzcal*((2.3*gzlvl6)+gzlvl1), gt1); else zgradpulse(((2.3*gzlvl6)+gzlvl1), gt1); if (autocal[A] == 'y') { if(dm3[B] == 'y') delay(0.5*del3 - 0.0005 -gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - 2.0*POWER_DELAY); else delay(0.5*del3 - 0.0005 -gt1 - 2.0*GRADIENT_DELAY - 2.0*POWER_DELAY); } else { if(dm3[B] == 'y') delay(0.5*del3 - gt1 -1/dmf3 - 2.0*GRADIENT_DELAY - POWER_DELAY); else delay(0.5*del3 - gt1 - 2.0*GRADIENT_DELAY - POWER_DELAY); } if(dm3[B] == 'y') /*optional 2H decoupling off */ { dec3rgpulse(1/dmf3, three, 0.0, 0.0); setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank(); } if (dm3[B]=='y') lk_sample(); status(C); setreceiver(t11); }
void pulsesequence() { /* DECLARE VARIABLES */ char aliph[MAXSTR], /* aliphatic CHn groups only */ arom[MAXSTR], /* aromatic CHn groups only */ N15refoc[MAXSTR], /* flag for refocusing 15N during indirect H1 evolution */ f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ mag_flg[MAXSTR], /* magic angle gradient */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ stCshape[MAXSTR], /* C13 inversion pulse shape name */ STUD[MAXSTR], /* Flag to select adiabatic decoupling */ stCdec[MAXSTR], /* contains name of adiabatic decoupling shape */ auto_dof[MAXSTR]; /* automatically adjust dof for aromatic, aliphatic, all carbon */ 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 */ double JCH1 = getval("JCH1"), /* smallest coupling that you wish to purge */ JCH2 = getval("JCH2"), /* largest coupling that you wish to purge */ taud, /* 1/(2JCH1) */ taue, /* 1/(2JCH2) */ /* N15 purging */ tauNH = 1/(4.0*getval("JNH")), /* HN coupling constant */ gt4 = getval("gt4"), gt14 = getval("gt14"), gt7 = getval("gt7"), gt17 = getval("gt17"), gt8 = getval("gt8"), gt9 = getval("gt9"), gzlvl4 = getval("gzlvl4"), gzlvl14 = getval("gzlvl14"), gzlvl7 = getval("gzlvl7"), gzlvl17 = getval("gzlvl17"), gzlvl8 = getval("gzlvl8"), gzlvl9 = getval("gzlvl9"), bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ ni2 = getval("ni2"), dofa = 0.0, /* actual 13C offset (depends on aliph and arom)*/ rf200 = getval("rf200"), /* rf in Hz for 200ppm STUD+ */ dmf200 = getval("dmf200"), /* dmf for 200ppm STUD+ */ rf30 = getval("rf30"), /* rf in Hz for 30ppm STUD+ */ dmf30 = getval("dmf30"), /* dmf for 30ppm STUD+ */ stdmf = 1.0, /* dmf for STUD decoupling initialized */ studlvl = 0.0, /* coarse power for STUD+ decoupling initialized */ rffil = 0.0, /* fine power level for 200ppm adiabatic pulse */ rfst = 0.0, /* fine power level for adiabatic pulse initialized */ rf0, /* full fine power */ /*compH = getval("compH"), adjustment for H1 amplifier compression */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ compN = getval("compN"), /* adjustment for N15 amplifier compression */ tau1, /* t1 delay */ tau2, /* t2 delay */ JCH = getval("JCH"), /* CH coupling constant */ Cfil = getval("Cfil"), /* CH coupling constant */ pwC = getval("pwC"), /* PW90 for 13C nucleus @ pwClvl */ pwClvl = getval("pwClvl"), /* high power for 13C hard pulses on dec1 */ pwC180 = getval("pwC180"), /* PW180 for 13C nucleus in INEPT transfers */ pwN = getval("pwN"), /* PW90 for 15N nucleus @ pwNlvl */ pwNlvl = getval("pwNlvl"), /* high power for 15N hard pulses on dec2 */ pwClw=getval("pwClw"), pwNlw=getval("pwNlw"), pwZlw=0.0, /* largest of pwNlw and 2*pwClw */ mix = getval("mix"), /* noesy mix time */ sw1 = getval("sw1"), /* spectral width in t1 (H) */ sw2 = getval("sw2"), /* spectral width in t2 (C) */ gstab = getval("gstab"), /* gradient recovery delay (300 us recom.) */ gsign = 1.0, gzcal = getval("gzcal"), /* dac to G/cm conversion factor */ gt0 = getval("gt0"), gt1 = getval("gt1"), gt2 = getval("gt2"), gt3 = getval("gt3"), gt5 = getval("gt5"), gt6 = getval("gt6"), gzlvl0 = getval("gzlvl0"), gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), gzlvl3 = getval("gzlvl3"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"); /* LOAD VARIABLES */ getstr("aliph",aliph); getstr("arom",arom); getstr("N15refoc",N15refoc); getstr("mag_flg",mag_flg); getstr("f1180",f1180); getstr("f2180",f2180); getstr("STUD",STUD); getstr("auto_dof",auto_dof); /* LOAD PHASE TABLE */ settable(t1,8,phi1); settable(t2,4,phi2); settable(t3,2,phi3); settable(t5,1,phi5); settable(t6,16,phi6); settable(t7,32,phi7); if (Cfil == 1) settable(t4,8,rec1); else settable(t4,32,rec2); /* CHECK VALIDITY OF PARAMETER RANGES */ if ( (arom[A]=='n' && aliph[A]=='n') || (arom[A]=='y' && aliph[A]=='y') ) { printf("You need to select one and only one of arom or aliph options "); psg_abort(1); } if((dm[A] == 'y' || dm[C] == 'y' )) { printf("incorrect 13C decoupler flags! dm='nnnn' or 'nnny' only "); psg_abort(1); } if((dm2[A] == 'y' || dm2[C] == 'y' )) { printf("incorrect 15N decoupler flags! No decoupling in relax or mix periods "); psg_abort(1); } if( dpwr > 49 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } if( dpwr2 > 49 ) { printf("don't fry the probe, DPWR2 too large! "); psg_abort(1); } if( pw > 200.0e-6 ) { printf("dont fry the probe, pw too high ! "); psg_abort(1); } if( pwN > 200.0e-6 ) { printf("dont fry the probe, pwN too high ! "); psg_abort(1); } if( pwC > 200.0e-6 ) { printf("dont fry the probe, pwC too high ! "); psg_abort(1); } if( gt0 > 15e-3 || gt1 > 15e-3 || gt2 > 15e-3 || gt3 > 15e-3 || gt4 > 15e-3 || gt5 > 15e-3 || gt6 > 15e-3 ) { printf("gti values < 15e-3\n"); psg_abort(1); } /* if( gzlvl3*gzlvl4 > 0.0 )*/ if (phase1 == 2) tsadd(t3,1,4); if (phase2 == 1) {tsadd(t5,2,4); icosel = +1;} else icosel = -1; /* Set up f1180 tau1 = t1 */ tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) tau1 += 1.0/(2.0*sw1); if(tau1 < 0.2e-6) tau1 = 4.0e-7; tau1 = tau1/2.0; /* Set up f2180 tau2 = t2 */ tau2 = d3; if((f2180[A] == 'y') && (ni2 > 1.0)) tau2 += ( 1.0 / (2.0*sw2) ); 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(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);} /* calculate 3db lower power hard pulses for simultaneous CN decoupling during indirect H1 evoluion pwNlw and pwClw should be calculated by the macro that calls the experiment. */ if (N15refoc[A] == 'y') { if (pwNlw==0.0) pwNlw = compN*pwN*exp(3.0*2.303/20.0); if (pwClw==0.0) pwClw = compC*pwC*exp(3.0*2.303/20.0); if (pwNlw > 2.0*pwClw) pwZlw=pwNlw; else pwZlw=2.0*pwClw; /* Uncomment to check pwClw and pwNlw if (d2==0.0 && d3==0.0) printf(" pwClw = %.2f ; pwNlw = %.2f\n", pwClw*1e6,pwNlw*1e6); */ } /* make sure that gt3 and gt1 are of opposite sign to help dephasing H2O */ if (gzlvl3*icosel*gzlvl1 > 0.0) gsign=-1.0; else gsign=1.0; /* if coupling constants are input by user use them to calculate delays */ if (Cfil == 1) { taud = 1.0/(2.0*JCH1); taue = 1.0/(2.0*JCH2); } else { taud = 1.0/(4.0*JCH1); taue = 1.0/(4.0*JCH2); } /* maximum fine power for pwC pulses */ rf0 = 4095.0; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { if (arom[A]=='y') /* AROMATIC spectrum */ { /* 30ppm sech/tanh inversion */ rfst = (compC*4095.0*pwC*4000.0*sqrt((4.5*sfrq/600.0+3.85)/0.41)); rfst = (int) (rfst + 0.5); } if (aliph[A]=='y') /* ALIPHATIC spectrum */ { /* 200ppm sech/tanh inversion pulse */ if (pwC180>3.0*pwC) { rfst = (compC*4095.0*pwC*4000.0*sqrt((12.07*sfrq/600+3.85)/0.35)); rfst = (int) (rfst + 0.5); } else rfst=4095.0; if( pwC > (20.0e-6*600.0/sfrq) ) { printf("Increase pwClvl so that pwC < 20*600/sfrq"); psg_abort(1); } } if (Cfil > 1) /* 200ppm pulse for C13 filtering */ { /* 200ppm sech/tanh inversion pulse */ if (pwC180>3.0*pwC) { rffil = (compC*4095.0*pwC*4000.0*sqrt((12.07*sfrq/600+3.85)/0.35)); rffil = (int) (rffil + 0.5); } else rfst=4095.0; if( pwC > (20.0e-6*600.0/sfrq) ) { printf("Increase pwClvl so that pwC < 20*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; if (arom[A]=='y') /* AROMATIC spectrum */ { bw = 30.0*ppm; pws = 0.001; ofs = 0.0; nst = 500.0; stC30 = pbox_makeA("stC30", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); } if ((aliph[A]=='y') || (Cfil > 1)) { bw = 200.0*ppm; pws = 0.001; ofs = 0.0; nst = 1000.0; stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); } ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } if (arom[A]=='y') rfst = stC30.pwrf; if (aliph[A]=='y') { if (pwC180>3.0*pwC) rfst = stC200.pwrf; else rfst = 4095.0; } if (Cfil > 1) { if (pwC180>3.0*pwC) rffil = stC200.pwrf; else rffil = 4095.0; } } if (arom[A]=='y') { dofa=dof+(125-43)*dfrq; strcpy(stCshape, "stC30"); /* 30 ppm STUD+ decoupling */ strcpy(stCdec, "stCdec30"); stdmf = dmf30; studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf30); studlvl = (int) (studlvl + 0.5); } if (aliph[A]=='y') { dofa=dof; strcpy(stCshape, "stC200"); /* 200 ppm STUD+ decoupling */ strcpy(stCdec, "stCdec200"); stdmf = dmf200; studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf200); studlvl = (int) (studlvl + 0.5); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); if (auto_dof[A]=='y') decoffset(dofa); obspower(tpwr); /* Set transmitter power for hard 1H pulses */ decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */ dec2power(pwNlvl); /* Set Dec2 power for decoupling during tau1 */ dec2pwrf(rf0); initval(135.0,v1); obsstepsize(1.0); delay(d1); /* destroy N15 and C13 magnetization */ if (N15refoc[A] == 'y') dec2rgpulse(pwN, zero, 0.0, 0.0); decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(gzlvl0, 0.5e-3); delay(gstab); if (N15refoc[A] == 'y') dec2rgpulse(pwN, one, 0.0, 0.0); decrgpulse(pwC, one, 0.0, 0.0); zgradpulse(0.7*gzlvl0, 0.5e-3); decphase(zero); dec2phase(zero); rcvroff(); delay(gstab); status(B); if (Cfil == 1) { xmtrphase(v1); rgpulse(pw, t1, rof1 , 0.0); txphase(zero); xmtrphase(zero); /* CN FILTER BEGINS */ zgradpulse(gzlvl8, gt8); txphase(zero); xmtrphase(zero); delay(taud -gt8 -2.0*GRADIENT_DELAY -2.0*SAPS_DELAY); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl8, gt8); delay(taue -gt8 -2.0*GRADIENT_DELAY); decrgpulse(pwC, zero, 0.0, 0.0); delay(taud -taue -pwC); /* CN FILTER ENDS */ } else if (Cfil == 2) { txphase(t6); rgpulse(pw, t6, rof1, 0.0); /* 90 deg 1H pulse */ /* BEGIN 1st FILTER */ txphase(zero); zgradpulse(gzlvl8,gt8); decpwrf(rffil); delay(taud -gt8 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -0.5e-3 +70.0e-6); simshaped_pulse("", "stC200", 2.0*pw, pwC180, zero, zero, 0.0, 0.0); zgradpulse(gzlvl8,gt8); decpwrf(rf0); delay(taud -gt8 -2.0*GRADIENT_DELAY -0.5e-3 +70.0e-6); simpulse(pw, pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl4,gt4); txphase(t7); delay(gstab); rgpulse(pw, t7, 0.0, 0.0); /* BEGIN 2nd FILTER */ zgradpulse(gzlvl9,gt9); decpwrf(rffil); delay(taue -gt9 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -0.5e-3 +70.0e-6); simshaped_pulse("", "stC200", 2.0*pw, pwC180, zero, zero, 0.0, 0.0); zgradpulse(gzlvl9,gt9); decpwrf(rf0); delay(taue -gt9 -2.0*GRADIENT_DELAY -0.5e-3 +70.0e-6); simpulse(pw, pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl7,gt7); txphase(t1); xmtrphase(v1); delay(gstab); rgpulse(pw, t1, 0.0, 0.0); txphase(zero); xmtrphase(zero); } else if (Cfil == 3) { txphase(t6); rgpulse(pw, t6, rof1, 0.0); /* 90 deg 1H pulse */ /* BEGIN 1st FILTER */ txphase(zero); zgradpulse(gzlvl8,gt8); delay(tauNH -gt8 -2.0*GRADIENT_DELAY); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); decpwrf(rffil); delay(tauNH -taud -0.5e-3 -WFG_START_DELAY -PWRF_DELAY); decshaped_pulse("stC200", pwC180, zero, 0.0, 0.0); zgradpulse(gzlvl8,gt8); decpwrf(rf0); delay(taud -gt8 -2.0*GRADIENT_DELAY -0.5e-3 -PWRF_DELAY); sim3pulse(pw, pwC, pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl14,gt14); txphase(t7); delay(gstab); rgpulse(pw, t7, 0.0, 0.0); /* BEGIN 2nd FILTER */ zgradpulse(gzlvl9,gt9); delay(tauNH -gt9 -2.0*GRADIENT_DELAY); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); decpwrf(rffil); delay(tauNH -taue -0.5e-3 -WFG_START_DELAY -PWRF_DELAY); decshaped_pulse("stC200", pwC180, zero, 0.0, 0.0); zgradpulse(gzlvl9,gt9); decpwrf(rf0); delay(taue -gt9 -2.0*GRADIENT_DELAY -0.5e-3 -PWRF_DELAY); sim3pulse(pw, pwC, pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl17,gt17); txphase(t1); xmtrphase(v1); delay(gstab); rgpulse(pw, t1, 0.0, 0.0); txphase(zero); xmtrphase(zero); } /* H1 INDIRECT EVOLUTION BEGINS */ if (ni > 0) txphase(t3); { if ( (N15refoc[A]=='y') && ((tau1 -pwN -2.0*pw/PI -rof1 -SAPS_DELAY) > 0.0) ) { delay(tau1 -pwN -2.0*pw/PI -SAPS_DELAY); dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); delay(tau1 -pwN -2.0*pw/PI -rof1); } else if (tau1 > 2.0*pw/PI +rof1 +SAPS_DELAY) delay(2.0*tau1 -4.0*pw/PI -2.0*rof1 -SAPS_DELAY); } /* H1 INDIRECT EVOLUTION ENDS */ rgpulse(pw, t3, rof1, rof1); /* 2nd 1H 90 pulse */ status(C); delay(mix -pwC -gt0 -PWRF_DELAY -gstab -2.0*GRADIENT_DELAY); decrgpulse(pwC,zero,0.0,0.0); zgradpulse(gzlvl0, gt0); decpwrf(rfst); /* fine power for inversion pulse */ delay(gstab); /* FIRST HSQC INEPT TRANSFER */ rgpulse(pw,zero,0.0,0.0); zgradpulse(gzlvl4, gt4); delay(1/(4.0*JCH) -gt4 -2.0*GRADIENT_DELAY -WFG2_START_DELAY -pwC180*0.45); simshaped_pulse("",stCshape,2*pw,pwC180,zero,zero,0.0,0.0); zgradpulse(gzlvl4, gt4); decpwrf(rf0); txphase(one); delay(1/(4.0*JCH) -gt4 -2.0*GRADIENT_DELAY -pwC180*0.45 -PWRF_DELAY -SAPS_DELAY); rgpulse(pw,one,0.0,0.0); zgradpulse(gsign*gzlvl3, gt3); txphase(zero); delay(gstab); /* C13 EVOLUTION */ decrgpulse(pwC,t2,0.0,0.0); delay(tau2); rgpulse(2.0*pw,zero,0.0,0.0); delay(tau2); decphase(zero); delay(gt1 +2.0*GRADIENT_DELAY +gstab -2.0*pw -SAPS_DELAY); decrgpulse(2*pwC,zero,0.0,0.0); if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl1, gt1); else zgradpulse(icosel*gzlvl1, gt1); decphase(t5); delay(gstab); decrgpulse(pwC,t5,0.0,0.0); delay(pw); rgpulse(pw,zero,0.0,0.0); zgradpulse(gzlvl5, gt5); decphase(zero); delay(1/(8.0*JCH) -gt5 -SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */ decrgpulse(2.0*pwC,zero,0.0,2.0e-6); rgpulse(2.0*pw,zero,0.0,0.0); zgradpulse(gzlvl5, gt5); decphase(one); txphase(one); delay(1/(8.0*JCH) -gt5 -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d3 = 1/8*Jch */ delay(pwC); decrgpulse(pwC,one,0.0,2.0e-6); rgpulse(pw,one,0.0,0.0); zgradpulse(gzlvl6, gt6); decpwrf(rfst); /* fine power for inversion pulse */ decphase(zero); txphase(zero); delay(1/(4.0*JCH) -gt6 -pwC180*0.45 -PWRF_DELAY -WFG2_START_DELAY -2.0*SAPS_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */ simshaped_pulse("",stCshape,2*pw,pwC180,zero,zero,0.0,0.0); zgradpulse(gzlvl6, gt6); decpwrf(rf0); delay(1/(4.0*JCH) -gt6 -pwC180*0.45 -PWRF_DELAY -2.0*GRADIENT_DELAY); /* d2 = 1/4*Jch */ rgpulse(pw,zero,0.0,0.0); delay(gt2 +gstab +2.0*GRADIENT_DELAY +POWER_DELAY); rgpulse(2*pw,zero,0.0,0.0); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl2, gt2); else zgradpulse(gzlvl2, gt2); delay(gstab); setreceiver(t4); rcvron(); if ((STUD[A]=='y') && (dm[D] == 'y')) { decpower(studlvl); decprgon(stCdec, 1.0/stdmf, 1.0); decon(); } else { decpower(dpwr); status(D); } }
void pulsesequence() { /* DECLARE VARIABLES */ char C13refoc[MAXSTR],comp_flg[MAXSTR],fsat[MAXSTR],f1180[MAXSTR]; int phase,t1_counter; double pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rf0, /* maximum fine power when using pwC pulses */ rfst, /* fine power for the stCall pulse */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ tau1, /* t1 delay */ taua, /* < 1 / 4J(NH) 2.25 ms */ taub, /* 1 / 4J(NH) in NH : 2.68 ms */ pwn, /* PW90 for N-nuc */ pwN, /* N15 pw90 for BioPack */ pwNlvl, /* N15 power for BioPack */ pwn_cp, /* PW90 for N CPMG */ pwHs, /* BioPack selective PW90 for water excitation */ compH, /* amplifier compression factor*/ compN, /* amplifier compression factor*/ phase_sl, tsatpwr, /* low power level for presat */ tpwrsf_u, /* fine power adjustment on flip-up sel 90 */ tpwrsf_d, /* fine power adjustment on flip-down sel 90 */ tpwrsl, /* low power level for sel 90 */ dhpwr2, /* power level for N hard pulses */ dpwr2_comp, /* power level for CPMG compensation */ dpwr2_cp, /* power level for N CPMG */ tauCPMG, /* CPMG delay */ ncyc, /* number of times to loop */ ncyc_max, /* max number of times to loop */ time_T2, /* total time for T2 measuring */ tofps, /* water freq */ sw1, pwr_delay, /* POWER_DELAY recalculated*/ timeC, gt1, gt2, gt3, gt4, gt5, gt6, gstab, /* stabilization delay */ BPpwrlimits, /* =0 for no limit, =1 for limit */ gzlvl1, gzlvl2, gzlvl3, gzlvl4, gzlvl5, gzlvl6; P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1); /* LOAD VARIABLES */ getstr("C13refoc", C13refoc); /* taub = 1/(8*93.0); */ taua = getval("taua"); taub = getval("taub"); pwNlvl = getval("pwNlvl"); pwN = getval("pwN"); pwn = getval("pwn"); pwn_cp = getval("pwn_cp"); pwHs = getval("pwHs"); compH = getval("compH"); compN = getval("compN"); phase_sl = getval("phase_sl"); tsatpwr = getval("tsatpwr"); tpwrsf_u = getval("tpwrsf_u"); tpwrsf_d = getval("tpwrsf_d"); tpwrsl = getval("tpwrsl"); dhpwr2 = getval("dhpwr2"); dpwr2_comp = getval("dpwr2_comp"); dpwr2_cp = getval("dpwr2_cp"); ncyc = getval("ncyc"); ncyc_max = getval("ncyc_max"); time_T2 = getval("time_T2"); phase = (int) (getval("phase") + 0.5); sw1 = getval("sw1"); tofps = getval("tofps"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gstab = getval("gstab"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); getstr("fsat",fsat); getstr("comp_flg",comp_flg); getstr("f1180",f1180); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* selective H20 one-lobe sinc pulse */ if (pwHs > 0.0) tpwrsl = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /*needs 1.69 times more*/ else tpwrsl = 0.0; tpwrsl = (int) (tpwrsl); /*power than a square pulse */ } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { H2OsincA = pbox_Rsh("H2OsincA", "sinc90", pwHs, 0.0, compH*pw, tpwr); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } pwHs = H2OsincA.pw; tpwrsl = H2OsincA.pwr-1.0; /* 1dB correction applied */ pwn = pwN; dhpwr2 = pwNlvl; } if (tpwrsf_u < 4095.0) { tpwrsl = tpwrsl + 6.0; pwr_delay = POWER_DELAY + PWRF_DELAY; } else pwr_delay = POWER_DELAY; /* maximum fine power for pwC pulses (and initialize rfst) */ rf0 = 4095.0; rfst=0.0; /* 180 degree adiabatic C13 pulse from 0 to 200 ppm */ if (C13refoc[A]=='y') {rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)); rfst = (int) (rfst + 0.5); if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC ) { text_error( " Not enough C13 RF. pwC must be %f usec or less.\n", (1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); }} /* check validity of parameter range */ if(dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y') { printf("incorrect Dec1 decoupler flags! Should be nnn "); psg_abort(1); } if(dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y' ) { printf("incorrect Dec2 decoupler flags! Should be nnn "); psg_abort(1); } if( tsatpwr > 8 ) { printf("tsatpwr too large !!! "); psg_abort(1); } if( dpwr2_cp > 61 ) { printf("don't fry the probe, dpwr2_cp too large for cpmg !"); psg_abort(1); } if( ncyc > 100) { printf("ncyc exceeds 100. May be too much \n"); psg_abort(1); } if( time_T2 > 0.090 ) { printf("total T2 recovery time exceeds 90 msec. May be too long \n"); psg_abort(1); } if( ncyc > 0) { tauCPMG = time_T2/(4*ncyc) - pwn_cp; if( ix == 1 ) printf("nuCPMG for current experiment is (Hz): %5.3f \n",1/(4*(tauCPMG+pwn_cp)) ); } else { tauCPMG = time_T2/4 - pwn_cp; if( ix == 1 ) printf("nuCPMG for current experiment is (Hz): not applicable \n"); } ncyc_max = time_T2/1e-3; if( tauCPMG + pwn_cp < 0.000250) { printf("WARNING: value of tauCPMG must be larger than or equal to 250 us\n"); printf("maximum value of ncyc allowed for current time_T2 is: %5.2f \n",ncyc_max); psg_abort(1); } if(gt1 > 3e-3 || gt2 > 3e-3 || gt3 > 3e-3|| gt4 > 3e-3 || gt5 > 3e-3 || gt6 > 3e-3 ) { printf("gti must be less than 3e-3\n"); psg_abort(1); } /* LOAD VARIABLES */ settable(t1, 2, phi1); settable(t2, 8, phi2); settable(t3, 8, phi3); settable(t4, 1, phi4); settable(t5, 1, phi5); settable(t6, 1, phi6); settable(t7, 8, rec); /* Phase incrementation for hypercomplex 2D data */ if (phase == 2) { tsadd(t4,2,4); tsadd(t5,2,4); tsadd(t6,2,4); tsadd(t7,2,4); } /* Set up f1180 */ tau1 = d2; if(f1180[A] == 'y') tau1 += ( 1.0 / (2.0*sw1) - (pw + pwN*2.0/3.1415)); else tau1 = tau1 - pw; if(tau1 < 0.2e-6) tau1 = 0.2e-6; tau1 = tau1/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1 ) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if( t1_counter %2 ) { tsadd(t2,2,4); tsadd(t3,2,4); tsadd(t7,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); decpower(dpwr); /* Set decoupler1 power to dpwr */ decpower(pwClvl); decpwrf(rfst); decoffset(dof); dec2power(dhpwr2); /* Set decoupler2 power to dhpwr2 */ /* Presaturation Period */ if(fsat[0] == 'y') { obspower(tsatpwr); /* Set power for presaturation */ obsoffset(tofps); /* move H carrier to the water */ rgpulse(d1,zero,rof1,rof1); /* presat. with transmitter */ obspower(tpwr); /* Set power for hard pulses */ } else { obspower(tpwr); /* Set power for hard pulses */ delay(d1); } obsoffset(tof); status(B); /* apply the compensation 15N pulses if desired */ if(comp_flg[A] == 'y') { dec2power(dpwr2_comp); /* Set decoupler2 compensation power */ timeC = time_T2*(ncyc_max-ncyc)/ncyc_max; dec2rgpulse(timeC,zero,0.0,0.0); dec2power(dhpwr2); } rcvroff(); delay(20.0e-6); /* shaped pulse on water */ obspower(tpwrsl); if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d); if (autocal[A] == 'y') shaped_pulse("H2OsincA",pwHs,three,rof1,0.0); else shaped_pulse("H2Osinc_d",pwHs,three,rof1,0.0); if (tpwrsf_d<4095.0) obspwrf(4095.0); obspower(tpwr); /* shaped pulse on water */ rgpulse(pw,two,rof1,0.0); txphase(zero); dec2phase(zero); delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); delay(taua - gt1 - gstab -2.0e-6); /* delay < 1/4J(XH) */ sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,0.0,0.0); txphase(one); dec2phase(t1); delay(taua - gt1 - gstab -2.0e-6); delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); rgpulse(pw,one,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(gstab); if (BPpwrlimits > 0.5) { dec2power(dpwr2_cp -3.0); /* reduce for probe protection */ pwn_cp=pwn_cp*compN*1.4; } else dec2power(dpwr2_cp); /* Set decoupler2 power to dpwr2_cp for CPMG period */ dec2rgpulse(pwn_cp,t1,rof1,2.0e-6); dec2phase(zero); /* start of the CPMG train for first period time_T2/2 on Ny(1-2Hz) */ if(ncyc > 0) { delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6); dec2rgpulse(2*pwn_cp,one,0.0,0.0); delay(tauCPMG); } if(ncyc > 1) { initval(ncyc-1,v4); loop(v4,v5); delay(tauCPMG); dec2rgpulse(2*pwn_cp,one,0.0,0.0); delay(tauCPMG); endloop(v5); } /* eliminate cross-relaxation */ delay(2.0e-6); zgradpulse(gzlvl3,gt3); delay(gstab); delay(taub - gt3 - gstab -2.0e-6 - pwn_cp); /* composite 1H 90y-180x-90y on top of 15N 180x */ dec2rgpulse(pwn_cp-2*pw,zero,0.0e-6,0.0); sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0); sim3pulse(2*pw,0.0e-6,2*pw,zero,zero,zero,0.0,0.0); sim3pulse(pw,0.0e-6,pw,one,zero,zero,0.0,0.0); dec2rgpulse(pwn_cp-2*pw,zero,0.0,0.0e-6); /* composite 1H 90y-180x-90y on top of 15N 180x */ delay(taub - gt3 - gstab -2.0e-6 - pwn_cp - 4.0*pw); delay(2.0e-6); zgradpulse(gzlvl3,gt3); delay(gstab); rgpulse(pw,one,0.0,0.0); rgpulse(2.0*pw,zero,0.0,0.0); rgpulse(pw,one,0.0,0.0); /* start of the CPMG train for second period time_T2/2 on Nx(1-2Iz) */ if(ncyc > 1) { initval(ncyc-1,v4); loop(v4,v5); delay(tauCPMG); dec2rgpulse(2*pwn_cp,zero,0.0,0.0); delay(tauCPMG); endloop(v5); } if(ncyc > 0) { delay(tauCPMG); dec2rgpulse(2*pwn_cp,zero,0.0,0.0); delay(tauCPMG - (2/PI)*pwn_cp - 2.0e-6); } dec2phase(one); dec2rgpulse(pwn_cp,one,2.0e-6,0.0); delay(rof1); dec2power(dhpwr2); /* Set decoupler2 power back to dhpwr2 */ dec2phase(t3); delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); if(phase==1) dec2rgpulse(pwn,t2,rof1,0.0); if(phase==2) dec2rgpulse(pwn,t3,rof1,0.0); txphase(t4); decphase(one); dec2phase(zero); /* 15N chemical shift labeling with optional 13C decoupling of Ca & C'*/ if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) ) {delay(tau1 - 0.5e-3 - WFG2_START_DELAY); /* WFG2_START_DELAY */ decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0); delay(tau1 - 0.5e-3);} else delay(2.0*tau1); /* finish of 15N shift labeling*/ rgpulse(pw,t4,0.0,0.0); /* shaped pulse on water */ obspower(tpwrsl); if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u); if (autocal[A] == 'y') shaped_pulse("H2OsincA",pwHs,t5,rof1,0.0); else shaped_pulse("H2Osinc_u",pwHs,t5,rof1,0.0); if (tpwrsf_u<4095.0) obspwrf(4095.0); obspower(tpwr); /* shaped pulse on water */ delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(gstab/2.0); delay(taua - pwr_delay - rof1 - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - pwr_delay - gt5 - gstab/2.0 -2.0e-6); sim3pulse(2.0*pw,0.0,2.0*pwn,zero,zero,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(gstab/2.0); delay(taua - gt5 - 2.0e-6 -gstab - pwr_delay - rof1 - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - pwr_delay - 2.0e-6); /* shaped pulse on water */ obspower(tpwrsl); if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u); if (autocal[A] == 'y') shaped_pulse("H2OsincA",pwHs,zero,rof1,0.0); else shaped_pulse("H2Osinc_u",pwHs,zero,rof1,0.0); if (tpwrsf_u<4095.0) obspwrf(4095.0); obspower(tpwr); /* shaped pulse on water */ sim3pulse(pw,0.0e-6,pwn,zero,zero,t6,2.0e-6,0.0); txphase(zero); dec2phase(zero); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab/2.0); delay(taua - gt6 - gstab/2.0 -2.0e-6 - pwr_delay - pwHs); initval(1.0,v3); obsstepsize(phase_sl); xmtrphase(v3); obspower(tpwrsl); if (tpwrsf_d<4095.0) obspwrf(tpwrsf_d); if (autocal[A] == 'y') shaped_pulse("H2OsincA",pwHs,two,rof1,0.0); else shaped_pulse("H2Osinc_d",pwHs,two,rof1,0.0); if (tpwrsf_d<4095.0) obspwrf(4095.0); obspower(tpwr); xmtrphase(zero); sim3pulse(2*pw,0.0e-6,2*pwn,zero,zero,zero,rof1,rof1); initval(1.0,v3); obsstepsize(phase_sl); xmtrphase(v3); obspower(tpwrsl); if (tpwrsf_u<4095.0) obspwrf(tpwrsf_u); if (autocal[A] == 'y') shaped_pulse("H2OsincA",pwHs,two,rof1,0.0); else shaped_pulse("H2Osinc_u",pwHs,two,rof1,0.0); if (tpwrsf_u<4095.0) obspwrf(4095.0); obspower(tpwr); xmtrphase(zero); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab/2.0); delay(taua - pwHs - gt6 - gstab/2.0 -2.0e-6 + 2.0*pw/PI - pwn - 2.0*POWER_DELAY); dec2rgpulse(pwn,zero,0.0,0.0); decpower(dpwr); /* lower power on dec */ dec2power(dpwr2); /* lower power on dec2 */ /* acquire data */ status(C); setreceiver(t7); }
void pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */ TROSY[MAXSTR]; /* do TROSY on N15 and H1 */ int icosel, /* used to get n and p type */ t1_counter, /* used for states tppi in t1 */ t2_counter, /* used for states tppi in t2 */ PRexp, /* projection-reconstruction flag */ ni = getval("ni"), ni2 = getval("ni2"); double tau1, /* t1 delay */ tau2, /* t2 delay */ tauCH = getval("tauCH"), /* 1/4J delay for CH */ zeta = getval("zeta"), /* zeta delay, 0.006 for 1D, 0.011 for 2D*/ timeTN = getval("timeTN"), /* constant time for 15N evolution */ timeCH = 1.1e-3, /* other delays */ timeAB = 3.3e-3, kappa = 5.4e-3, lambda = 2.4e-3, csa, sna, pra = M_PI*getval("pra")/180.0, bw, ofs, ppm, /* temporary Pbox parameters */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rf0, /* maximum fine power when using pwC pulses */ /* 90 degree pulse at Cab(46ppm), first off-resonance null at CO (174ppm) */ pwC1, /* 90 degree pulse length on C13 at rf1 */ rf1, /* fine power for 5.1 kHz rf for 600MHz magnet */ /* 180 degree pulse at Cab(46ppm), first off-resonance null at CO(174ppm) */ pwC2, /* 180 degree pulse length at rf2 */ rf2, /* fine power for 11.4 kHz rf for 600MHz magnet */ /* the following pulse lengths for SLP pulses are automatically calculated */ /* by the macro "biocal". SLP pulse shapes, "offC7" etc are called */ /* directly from your shapelib. */ pwC7, /* 180 degree selective sinc pulse on CO(174ppm) */ rf7, /* fine power for the pwC7 ("offC7") pulse */ compH = getval("compH"), /* adjustment for C13 amplifier compression */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ pwH, /* H1 90 degree pulse length at tpwr1 */ tpwr1, /* 9.2 kHz rf magnet for DIPSI-2 */ DIPSI2time, /* total length of DIPSI-2 decoupling */ ncyc_dec, waltzB1=getval("waltzB1"), pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt1 = getval("gt1"), /* coherence pathway gradients */ gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */ gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), gt0 = getval("gt0"), /* other gradients */ gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"), gstab = getval("gstab"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"); getstr("f1180",f1180); getstr("f2180",f2180); getstr("mag_flg",mag_flg); getstr("TROSY",TROSY); csa = cos(pra); sna = sin(pra); /* LOAD PHASE TABLE */ settable(t3,1,phx); settable(t4,1,phx); if (TROSY[A]=='y') {settable(t8,2,phi8T); settable(t9,1,phx); settable(t10,1,phy); settable(t11,1,phx); settable(t12,2,recT);} else {settable(t8,2,phi8); settable(t9,8,phi9); settable(t10,1,phx); settable(t11,1,phy); settable(t12,4,rec);} /* INITIALIZE VARIABLES */ if( dpwrf < 4095 ) { printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse"); psg_abort(1); } /* set zeta to 6ms for 1D spectral check, otherwise it will be the */ /* value in the dg2 parameter set (about 11ms) for 2D/13C and 3D work */ if (ni>1) zeta = zeta; else zeta = 0.006; /* maximum fine power for pwC pulses */ rf0 = 4095.0; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* 90 degree pulse on Cab, null at CO 128ppm away */ pwC1 = sqrt(15.0)/(4.0*128.0*dfrq); rf1 = 4095.0*(compC*pwC/pwC1); rf1 = (int) (rf1 + 0.5); /* 180 degree pulse on Cab, null at CO 128ppm away */ pwC2 = sqrt(3.0)/(2.0*128.0*dfrq); rf2 = (4095.0*compC*pwC*2.0)/pwC2; rf2 = (int) (rf2 + 0.5); if( rf2 > 4295 ) { printf("increase pwClvl"); psg_abort(1);} if(( rf2 < 4296 ) && (rf2>4095)) rf2=4095; /* 180 degree one-lobe sinc pulse on CO, null at Ca 118m away */ pwC7 = getval("pwC7"); rf7 = (compC*4095.0*pwC*2.0*1.65)/pwC7; /* needs 1.65 times more */ rf7 = (int) (rf7 + 0.5); /* power than a square pulse */ } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 128.0*ppm; ofs = bw; offC1 = pbox_Rcal("square90n", bw, compC*pwC, pwClvl); offC2 = pbox_Rcal("square180n", bw, compC*pwC, pwClvl); bw = 118.0*ppm; offC7 = pbox_make("offC7", "sinc180n", bw, ofs, compC*pwC, pwClvl); if (dm3[B] == 'y') H2ofs = 3.2; ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } pwC1 = offC1.pw; rf1 = offC1.pwrf; pwC2 = offC2.pw; rf2 = offC2.pwrf; pwC7 = offC7.pw; rf7 = offC7.pwrf; /* Example of semi-automatic calibration - use parameters, if they exist : if ((autocal[0] == 's') || (autocal[1] == 's')) { if (find("pwC1") > 0) pwC1 = getval("pwC1"); if (find("rf1") > 0) rf1 = getval("rf1"); } */ } /* power level and pulse times for DIPSI 1H decoupling */ DIPSI2time = 2.0*zeta + 2.0*timeTN - 5.4e-3 + pwC1 + 5.0*pwN + gt3 + 5.0e-5 + 2.0*GRADIENT_DELAY + 3.0*POWER_DELAY; pwH=1.0/(4.0*waltzB1); ncyc_dec = (DIPSI2time*90.0)/(pwH*2590.0*4.0); ncyc_dec = (int) (ncyc_dec +0.5); pwH = (DIPSI2time*90.0)/(ncyc_dec*2590.0*4.0); /* adjust pwH */ tpwr1 = 4095.0*(compH*pw/pwH); tpwr1 = (int) (2.0*tpwr1 + 0.5); /* x2 because obs atten will be reduced by 6dB */ /* CHECK VALIDITY OF PARAMETER RANGES */ if ( 0.5*ni*1/(sw1) > timeAB - gt4 - WFG_START_DELAY - pwC7 ) { printf(" ni is too big. Make ni equal to %d or less.\n", ((int)((timeAB - gt4 - WFG_START_DELAY - pwC7)*2.0*sw1))); psg_abort(1);} PRexp = 0; if((pra > 0.0) && (pra < 90.0)) PRexp = 1; if (PRexp) { if( 0.5*ni*sna/sw1 > timeTN - WFG3_START_DELAY) { printf(" ni is too big. Make ni equal to %d or less.\n", ((int)((timeTN - WFG3_START_DELAY)*2.0*sw1/sna))); psg_abort(1);} } else { if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY) { printf(" ni2 is too big. Make ni2 equal to %d or less.\n", ((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);} } if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ) { printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);} if ( dm2[A] == 'y' || dm2[B] == 'y' ) { printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);} if ( dm3[A] == 'y' || dm3[C] == 'y' ) { printf("incorrect dec3 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1);} if ( dpwr2 > 50 ) { printf("dpwr2 too large! recheck value "); psg_abort(1);} if ( pw > 20.0e-6 ) { printf(" pw too long ! recheck value "); psg_abort(1);} if ( pwN > 100.0e-6 ) { printf(" pwN too long! recheck value "); psg_abort(1);} if ( TROSY[A]=='y' && dm2[C] == 'y') { text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1);} /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (phase1 == 2) tsadd(t3,1,4); if (TROSY[A]=='y') { if (phase2 == 2) icosel = +1; else {tsadd(t4,2,4); tsadd(t10,2,4); icosel = -1;} } else { if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;} else icosel = -1; } /* Set up f1180 */ if(PRexp) /* set up Projection-Reconstruction experiment */ tau1 = d2*csa; else tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } tau1 = tau1/2.0; /* Set up f2180 */ if(PRexp) tau2 = d2*sna; else { tau2 = d3; if((f2180[A] == 'y') && (ni2 > 1.0)) { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; } } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t12,2,4); } if( ix == 1) d3_init = d3; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); delay(d1); if ( dm3[B] == 'y' ) { lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/ rcvroff(); obspower(tpwr); decpower(pwClvl); dec2power(pwNlvl); decpwrf(rf0); obsoffset(tof); txphase(zero); delay(1.0e-5); if (TROSY[A] == 'n') dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/ decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(gzlvl0, 0.5e-3); delay(1.0e-4); if (TROSY[A] == 'n') dec2rgpulse(pwN, one, 0.0, 0.0); decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(0.7*gzlvl0, 0.5e-3); delay(5.0e-4); rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */ decphase(zero); zgradpulse(gzlvl0, gt0); delay(tauCH - gt0); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); txphase(one); decphase(t3); zgradpulse(gzlvl0, gt0); delay(tauCH - gt0); rgpulse(pw, one, 0.0, 0.0); zgradpulse(gzlvl3, gt3); delay(2.0e-4); if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */ { gt4=0.0; /* no gradients during 2H decoupling */ dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6); dec3unblank(); dec3phase(zero); delay(2.0e-6); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); } decrgpulse(pwC, t3, 0.0, 0.0); /* point a */ txphase(zero); decphase(zero); decpwrf(rf7); delay(tau1); /* WFG3_START_DELAY */ sim3shaped_pulse("", "offC7", "", 0.0, pwC7, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl4, gt4); decpwrf(rf2); if ( pwC7 > 2.0*pwN) {delay(timeCH - pwC7 - gt4 - WFG3_START_DELAY - 2.0*pw);} else {delay(timeCH - 2.0*pwN - gt4 - WFG3_START_DELAY - 2.0*pw);} rgpulse(2.0*pw,zero,0.0,0.0); delay(timeAB - timeCH); decrgpulse(pwC2, zero, 0.0, 0.0); zgradpulse(gzlvl4, gt4); decpwrf(rf7); delay(timeAB - tau1 - gt4 - WFG_START_DELAY - pwC7 - 2.0e-6); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); decpwrf(rf1); /* point b */ decrgpulse(pwC1, zero, 2.0e-6, 0.0); obspwrf(tpwr1); obspower(tpwr-6); /* POWER_DELAY */ obsprgon("dipsi2", pwH, 5.0); /* PRG_START_DELAY */ xmtron(); /* point c */ dec2phase(zero); decpwrf(rf2); delay(zeta - POWER_DELAY - PRG_START_DELAY); sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, zero, 0.0, 0.0); decpwrf(rf1); dec2phase(t8); delay(zeta); /* point d */ decrgpulse(pwC1, zero, 0.0, 0.0); if ( dm3[B] == 'y' ) /* turns off 2H decoupling */ { setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3); dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6); dec3blank(); lk_autotrig(); /* resumes lock pulsing */ } /* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */ zgradpulse(gzlvl3, gt3); if (TROSY[A]=='y') { xmtroff(); obsprgoff(); } delay(2.0e-4); dec2rgpulse(pwN, t8, 0.0, 0.0); /* point e */ decpwrf(rf2); decphase(zero); dec2phase(t9); delay(timeTN - WFG3_START_DELAY - tau2); /* WFG3_START_DELAY */ sim3pulse(0.0, pwC2, 2.0*pwN, zero, zero, t9, 0.0, 0.0); dec2phase(t10); decpwrf(rf7); if (TROSY[A]=='y') { if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4) { txphase(t4); delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); } else { txphase(t4); delay(timeTN -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(tau2); } } else { if (tau2 > kappa) { delay(timeTN - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(tau2 - kappa - PRG_STOP_DELAY); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ txphase(t4); delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); } else if (tau2 > (kappa - pwC7 - WFG_START_DELAY)) { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ txphase(t4); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(kappa -pwC7 -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); } else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4) { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ txphase(t4); delay(kappa - tau2 - pwC7 - WFG_START_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); } else { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ txphase(t4); delay(kappa-tau2-pwC7-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspwrf(4095.0); obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - 2.0*POWER_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC7", pwC7, zero, 0.0, 0.0); delay(tau2); } } /* point f */ /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ if (TROSY[A]=='y') rgpulse(pw, t4, 0.0, 0.0); else sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl5, gt5); if (TROSY[A]=='y') delay(lambda - 0.65*(pw + pwN) - gt5); else delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl5, gt5); txphase(one); dec2phase(t11); delay(lambda - 1.3*pwN - gt5); sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl6, gt5); delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); dec2phase(t10); zgradpulse(gzlvl6, gt5); if (TROSY[A]=='y') delay(lambda - 1.6*pwN - gt5); else delay(lambda - 0.65*pwN - gt5); if (TROSY[A]=='y') dec2rgpulse(pwN, t10, 0.0, 0.0); else rgpulse(pw, zero, 0.0, 0.0); delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, rof1); dec2power(dpwr2); /* POWER_DELAY */ if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0); else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */ delay(gstab); rcvron(); statusdelay(C,1.0e-4 - rof1); if (dm3[B]=='y') lk_sample(); setreceiver(t12); }
pulsesequence() { /* DECLARE VARIABLES */ char fscuba[MAXSTR], f1180[MAXSTR], /* Flag to start t1 @ fulldwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ C_flg[MAXSTR], dtt_flg[MAXSTR]; int phase, phase2, ni, ni2, t1_counter, /* used for states tppi in t1 */ t2_counter; /* used for states tppi in t2 */ double tau1, /* t1 delay */ tau2, /* t2 delay */ taua, /* ~ 1/4JHC = 1.6 ms */ taub, /* 1/6JCH = 1.1 ms */ BigTC, /* Carbon constant time period = 1/4Jcc = 7.0 ms */ pwN, /* PW90 for 15N pulse @ pwNlvl */ pwC, /* PW90 for c nucleus @ pwClvl */ pwcrb180, /* PW180 for C 180 reburp @ rfrb */ pwClvl, /* power level for 13C pulses on dec1 */ compC, compH, /* compression factors for H1 and C13 amps */ rfrb, /* power level for 13C reburp pulse */ pwNlvl, /* high dec2 pwr for 15N hard pulses */ sw1, /* sweep width in f1 */ sw2, /* sweep width in f2 */ bw, ofs, ppm, gt0, gt1, gt2, gt3, gt4, gt5, gt6, gstab, gzlvl0, gzlvl1, gzlvl2, gzlvl3, gzlvl4, gzlvl5, gzlvl6, decstep1, decstep2, decstep3, tpwrs, pwHs, dof_me, rfrb_cg, rfrb_co, pwrb_co, pwrb_cg, tof_dtt, rfca90, pwca90, rfca180, pwca180, pwco90, dofCO; /* LOAD VARIABLES */ getstr("f1180",f1180); getstr("f2180",f2180); getstr("fscuba",fscuba); getstr("C_flg",C_flg); getstr("dtt_flg",dtt_flg); taua = getval("taua"); taub = getval("taub"); BigTC = getval("BigTC"); pwC = getval("pwC"); pwcrb180 = getval("pwcrb180"); pwN = getval("pwN"); tpwr = getval("tpwr"); pwClvl = getval("pwClvl"); compC = getval("compC"); compH = getval("compH"); dpwr = getval("dpwr"); pwNlvl = getval("pwNlvl"); phase = (int) ( getval("phase") + 0.5); phase2 = (int) ( getval("phase2") + 0.5); sw1 = getval("sw1"); sw2 = getval("sw2"); ni = getval("ni"); ni2 = getval("ni2"); gstab = getval("gstab"); gt0 = getval("gt0"); gt1 = getval("gt1"); gt2 = getval("gt2"); gt3 = getval("gt3"); gt4 = getval("gt4"); gt5 = getval("gt5"); gt6 = getval("gt6"); gzlvl0 = getval("gzlvl0"); gzlvl1 = getval("gzlvl1"); gzlvl2 = getval("gzlvl2"); gzlvl3 = getval("gzlvl3"); gzlvl4 = getval("gzlvl4"); gzlvl5 = getval("gzlvl5"); gzlvl6 = getval("gzlvl6"); decstep1 = getval("decstep1"); decstep2 = getval("decstep2"); decstep3 = getval("decstep3"); pwHs = getval("pwHs"); dof_me = getval("dof_me"); tof_dtt = getval("tof_dtt"); dofCO = getval("dofCO"); tpwrs = 0.0; setautocal(); /* activate auto-calibration */ if(FIRST_FID) /* make shapes */ { ppm = getval("dfrq"); bw = 80.0*ppm; rb180 = pbox_make("rb180P", "reburp", bw, 0.0, compC*pwC, pwClvl); bw = 8.125*ppm; ofs = -24.0*ppm; rb180_cg = pbox_make("rb180_cgP", "reburp", bw, ofs, compC*pwC, pwClvl); bw = 60*ppm; ofs = 136.0*ppm; rb180_co = pbox_make("rb180_coP", "reburp", bw, ofs, compC*pwC, pwClvl); bw = 118.0*ppm; ofs = -118.0*ppm; ca180 = pbox_make("ca180P", "square180n", bw, ofs, compC*pwC, pwClvl); bw = 118.0*ppm; ofs = 18.0*ppm; ca90 = pbox_make("ca90P", "square90n", bw, ofs, compC*pwC, pwClvl); } pwcrb180 = rb180.pw; rfrb = rb180.pwrf; /* set up parameters */ pwrb_cg = rb180_cg.pw; rfrb_cg = rb180_cg.pwrf; /* set up parameters */ pwrb_co = rb180_co.pw; rfrb_co = rb180_co.pwrf; /* set up parameters */ pwca90 = ca90.pw; rfca90 = ca90.pwrf; /* set up parameters */ pwca180 = ca180.pw; rfca180 = ca180.pwrf; /* set up parameters */ pwco90 = pwca90; tpwrs = tpwr - 20.0*log10(pwHs/((compH*pw)*1.69)); /* sinc=1.69xrect */ tpwrs = (int) (tpwrs); /* LOAD PHASE TABLE */ settable(t1,2,phi1); settable(t2,4,phi2); settable(t3,4,phi3); settable(t4,4,phi4); settable(t5,1,phi5); settable(t6,16,phi6); settable(t7,8,phi7); settable(t8,8,phi8); settable(t9,8,phi9); settable(t10,1,phi10); settable(t11,8,phi11); settable(t12,16,rec); /* CHECK VALIDITY OF PARAMETER RANGES */ if( BigTC - 0.5*(ni2-1)*1/(sw2) - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6 < 0.2e-6 ) { printf(" ni2 is too big\n"); psg_abort(1); } if((dm[A] == 'y' || dm[B] == 'y' )) { printf("incorrect dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y')) { printf("incorrect dec2 decoupler flags! Should be 'nnn' "); psg_abort(1); } if( satpwr > 9 ) { printf("SATPWR too large !!! "); psg_abort(1); } if( dpwr > 48 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } if( dpwr2 > -16 ) { printf("don't fry the probe, DPWR2 too large! "); psg_abort(1); } if( pw > 200.0e-6 ) { printf("dont fry the probe, pw too high ! "); psg_abort(1); } if( pwN > 200.0e-6 ) { printf("dont fry the probe, pwN too high ! "); psg_abort(1); } if( pwC > 200.0e-6 ) { printf("dont fry the probe, pwC too high ! "); psg_abort(1); } if( pwcrb180 > 500.0e-6 ) { printf("dont fry the probe, pwcrb180 too high ! "); psg_abort(1); } if(dpwr3 > 51) { printf("dpwr3 is too high; < 52\n"); psg_abort(1); } if(d1 < 1) { printf("d1 must be > 1\n"); psg_abort(1); } if( gt0 > 5.0e-3 || gt1 > 5.0e-3 || gt2 > 5.0e-3 || gt3 > 5.0e-3 || gt4 > 5.0e-3 || gt5 > 5.0e-3 || gt6 > 5.0e-3 ) { printf(" all values of gti must be < 5.0e-3\n"); psg_abort(1); } /* Phase incrementation for hypercomplex 2D data */ if (phase == 2) { tsadd(t11,1,4); } if (phase2 == 2) tsadd(t10,1,4); /* Set up f1180 tau1 = t1 */ tau1 = d2; tau1 = tau1 - 4.0/PI*pwco90 - POWER_DELAY - WFG_START_DELAY - 4.0e-6 - pwca180 - WFG_STOP_DELAY - POWER_DELAY - 2.0*pwN; if(f1180[A] == 'y') { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.4e-6) tau1 = 4.0e-7; } tau1 = tau1/2.0; /* Set up f2180 tau2 = t2 */ tau2 = d3; if(f2180[A] == 'y') { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.4e-6) tau2 = 4.0e-7; } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2 ; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t11,2,4); tsadd(t12,2,4); } if( ix == 1) d3_init = d3 ; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t10,2,4); tsadd(t12,2,4); } /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); obspower(satpwr); /* Set transmitter power for 1H presaturation */ decpower(pwClvl); /* Set Dec1 power for hard 13C pulses */ dec2power(pwNlvl); /* Set Dec2 to high power */ /* Presaturation Period */ if (satmode[A] == 'y') { delay(2.0e-5); rgpulse(d1,zero,2.0e-6,2.0e-6); /* presat with transmitter */ obspower(tpwr); /* Set transmitter power for hard 1H pulses */ delay(2.0e-5); if(fscuba[0] == 'y') { delay(2.2e-2); rgpulse(pw,zero,2.0e-6,0.0); rgpulse(2.0*pw,one,2.0e-6,0.0); rgpulse(pw,zero,2.0e-6,0.0); delay(2.2e-2); } } else { delay(d1); } obspower(tpwr); /* Set transmitter power for hard 1H pulses */ txphase(t1); decphase(zero); dec2phase(zero); delay(1.0e-5); /* Begin Pulses */ status(B); decoffset(dof_me); lk_hold(); lk_sampling_off(); rcvroff(); delay(20.0e-6); /* ensure that magnetization originates on 1H and not 13C */ if(dtt_flg[A] == 'y') { obsoffset(tof_dtt); obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,zero,10.0e-6,0.0); obspower(tpwr); obsoffset(tof); } decrgpulse(pwC,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl0,gt0); delay(gstab); rgpulse(pw,zero,0.0,0.0); /* 90 deg 1H pulse */ delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); delay(taua - gt1 -gstab -2.0e-6 ); simpulse(2.0*pw,2.0*pwC,zero,zero,0.0,0.0); txphase(one); delay(taua - gt1 - gstab -2.0e-6); delay(2.0e-6); zgradpulse(gzlvl1,gt1); delay(gstab); rgpulse(pw,one,0.0,0.0); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ decoffset(dof); /* jump 13C to 40 ppm */ delay(2.0e-6); zgradpulse(gzlvl2,gt2); delay(gstab); decrgpulse(pwC,t1,4.0e-6,0.0); decphase(zero); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t2); decpwrf(4095.0); delay(BigTC - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t2,0.0,0.0); decphase(zero); /* turn on 2H decoupling */ dec3phase(one); dec3power(dpwr3); dec3rgpulse(1/dmf3,one,4.0e-6,0.0); dec3phase(zero); dec3unblank(); dec3prgon(dseq3,1/dmf3,dres3); dec3on(); /* turn on 2H decoupling */ initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - POWER_DELAY - 4.0e-6 - 1/dmf3 - POWER_DELAY - PRG_START_DELAY - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t3); decpwrf(4095.0); delay(BigTC - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t3,0.0,0.0); decpwrf(rfrb_cg); decphase(zero); delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(rfrb); delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY - 2.0e-6 - WFG_START_DELAY); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_cg); decphase(zero); delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(4095.0); decphase(t4); delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t4,0.0,0.0); decpwrf(rfrb_co); decphase(zero); decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */ decpwrf(rfrb); delay(taub - (2.0/PI)*pwC - POWER_DELAY - 4.0e-6 - WFG_START_DELAY - pwrb_co - WFG_STOP_DELAY - 2.0e-6 - WFG_START_DELAY); initval(1.0,v3); decstepsize(decstep2); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_co); decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); decphase(t5); decpwrf(rfca90); delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY - pwcrb180 - WFG_STOP_DELAY - POWER_DELAY - WFG_START_DELAY - (2.0/PI)*pwca90); decshaped_pulse(ca90.name,pwca90,t5,0.0,0.0); decoffset(dofCO); /* 2H decoupling off */ dec3off(); dec3prgoff(); dec3blank(); dec3rgpulse(1/dmf3,three,4.0e-6,0.0); /* 2H decoupling off */ delay(2.0e-6); zgradpulse(gzlvl5,gt5); delay(gstab); decrgpulse(pwco90,t11,4.0e-6,0.0); if(C_flg[A] == 'n') { decpwrf(rfca180); delay(tau1); decshaped_pulse(ca180.name,pwca180,zero,4.0e-6,0.0); decpwrf(rfca90); decphase(zero); dec2rgpulse(2.0*pwN,zero,0.0,0.0); delay(tau1); } else decrgpulse(2.0*pwco90,zero,4.0e-6,4.0e-6); decrgpulse(pwco90,zero,0.0,0.0); delay(2.0e-6); zgradpulse(gzlvl6,gt6); delay(gstab); /* turn on 2H decoupling */ dec3phase(one); dec3rgpulse(1/dmf3,one,4.0e-6,0.0); dec3phase(zero); dec3unblank(); dec3prgon(dseq3,1/dmf3,dres3); dec3on(); /* turn on 2H decoupling */ decoffset(dof); decpwrf(rfca90); decshaped_pulse(ca90.name,pwca90,t6,4.0e-6,0.0); decpwrf(rfrb_co); decphase(zero); delay(taub - WFG_STOP_DELAY - (2.0/PI)*pwca90 - POWER_DELAY - WFG_START_DELAY - pwrb_co - WFG_STOP_DELAY - 2.0e-6 - WFG_START_DELAY); decshaped_pulse(rb180_co.name,pwrb_co,zero,0.0,0.0); decpwrf(rfrb); initval(1.0,v3); decstepsize(decstep3); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_co); delay(taub - WFG_STOP_DELAY - 4.0e-6 - WFG_START_DELAY - pwcrb180 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6 - (2.0/PI)*pwC); decshaped_pulse(rb180_co.name,pwrb_co,zero,4.0e-6,0.0); /* BS */ decpwrf(4095.0); decrgpulse(pwC,t7,4.0e-6,0.0); decpwrf(rfrb_cg); decphase(zero); delay(BigTC/2.0 - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(rfrb); delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY - SAPS_DELAY - 2.0e-6 - WFG_START_DELAY); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decshaped_pulse(rb180.name,pwcrb180,zero,2.0e-6,0.0); dcplrphase(zero); decpwrf(rfrb_cg); decphase(zero); delay(BigTC/2.0 - WFG_STOP_DELAY - SAPS_DELAY - POWER_DELAY - WFG_START_DELAY - 0.5*pwrb_cg); decshaped_pulse(rb180_cg.name,pwrb_cg,zero,0.0,0.0); decpwrf(4095.0); decphase(t8); delay(BigTC/2.0 - 0.5*pwrb_cg - WFG_STOP_DELAY - POWER_DELAY); decrgpulse(pwC,t8,0.0,0.0); decphase(zero); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t9); decpwrf(4095.0); delay(BigTC - WFG_STOP_DELAY - POWER_DELAY - PRG_STOP_DELAY - POWER_DELAY - 4.0e-6 - 1/dmf3); /* 2H decoupling off */ dec3off(); dec3prgoff(); dec3blank(); dec3rgpulse(1/dmf3,three,4.0e-6,0.0); lk_autotrig(); /* 2H decoupling off */ decrgpulse(pwC,t9,0.0,0.0); decphase(zero); delay(tau2); rgpulse(2.0*pw,zero,0.0,0.0); initval(1.0,v3); decstepsize(decstep1); dcplrphase(v3); decpwrf(rfrb); delay(BigTC - 2.0*pw - POWER_DELAY - WFG_START_DELAY); decshaped_pulse(rb180.name,pwcrb180,zero,0.0,0.0); dcplrphase(zero); decphase(t10); decpwrf(4095.0); delay(BigTC - tau2 - WFG_STOP_DELAY - POWER_DELAY - 4.0e-6); decrgpulse(pwC,t10,4.0e-6,0.0); decoffset(dof_me); delay(2.0e-6); zgradpulse(gzlvl3,gt3); delay(gstab); lk_sample(); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,zero,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ rgpulse(pw,zero,4.0e-6,0.0); delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); delay(taua - gt4 - gstab -2.0e-6 - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - POWER_DELAY - 2.0e-6); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ simpulse(2.0*pw,2.0*pwC,zero,zero,2.0e-6,0.0); /* shaped_pulse */ obspower(tpwrs); shaped_pulse("H2Osinc",pwHs,two,2.0e-6,0.0); obspower(tpwr); /* shaped_pulse */ delay(2.0e-6); zgradpulse(gzlvl4,gt4); delay(gstab); delay(taua - POWER_DELAY - 2.0e-6 - WFG_START_DELAY - pwHs - WFG_STOP_DELAY - POWER_DELAY - gt4 - gstab -2.0e-6 - 2.0*POWER_DELAY); decpower(dpwr); /* Set power for decoupling */ dec2power(dpwr2); /* BEGIN ACQUISITION */ lk_sample(); status(C); setreceiver(t12); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ RELAY[MAXSTR], /* Insert HCCH-relay delay */ ribose[MAXSTR], /* ribose CHn groups only */ aromatic[MAXSTR], /* aromatic CHn groups only */ rna_stCshape[MAXSTR], /* calls sech/tanh pulses from shapelib */ rna_stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */ mag_flg[MAXSTR], /* Flag to use magic-angle gradients */ H2O_flg[MAXSTR], sspul[MAXSTR], SHAPE[MAXSTR], STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */ int t1_counter, /* used for states tppi in t1 */ t2_counter, /* used for states tppi in t2 */ ni2 = getval("ni2"); double tau1, /* t1 delay */ tau2, /* t2 delay */ delta1,delta2, ni = getval("ni"), lambda = 0.94/(4*getval("JCH")), /* 1/4J H1 evolution delay */ tCH = 1/(6.0*getval("JCH")), /* 1/4J C13 evolution delay */ tCC = 1/(8*getval("JCC")), pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rfC, /* maximum fine power when using pwC pulses */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ /* temporary Pbox parameters */ bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ /* Sech/tanh inversion pulses automatically calculated by macro "rna_cal" */ /* and string parameter rna_stCshape calls them from your shapelib. */ rfst = 0.0, /* fine power for the rna_stCshape pulse, initialised */ dofa, /* dof shifted to 80 or 120ppm for ribose or aromatic spectra */ /* string parameter stCdec calls stud decoupling waveform from your shapelib.*/ studlvl, /* coarse power for STUD+ decoupling */ stdmf = getval("dmf80"), /* dmf for 80 ppm of STUD decoupling */ rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */ pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"), gt7 = getval("gt7"), gt8 = getval("gt8"), gt9 = getval("gt9"), gzcal = getval("gzcal"), grecov = getval("grecov"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl7 = getval("gzlvl7"), /* triax option */ gzlvl8 = getval("gzlvl8"), gzlvl9 = getval("gzlvl9"); getstr("f1180",f1180); getstr("mag_flg",mag_flg); getstr("f2180",f2180); getstr("RELAY",RELAY); getstr("ribose",ribose); getstr("aromatic",aromatic); getstr("H2O_flg",H2O_flg); getstr("sspul",sspul); getstr("SHAPE",SHAPE); getstr("STUD",STUD); /* INITIALIZE VARIABLES */ /* maximum fine power for pwC pulses */ rfC = 4095.0; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* 50ppm sech/tanh inversion */ rfst = (compC*4095.0*pwC*4000.0*sqrt((7.5*sfrq/600+3.85)/0.41)); rfst = (int) (rfst + 0.5); } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 50.0*ppm; pws = 0.001; ofs = 0.0; nst = 500.0; stC50 = pbox_makeA("rna_stC50", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); if (dm3[B] == 'y') H2ofs = 3.2; ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } rfst = stC50.pwrf; } strcpy(rna_stCshape, "rna_stC50"); strcpy(rna_stCdec, "wurst80"); studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80); studlvl = (int) (studlvl + 0.5); /* RIBOSE spectrum only, centered on 80ppm. */ if (ribose[A]=='y') dofa = dof - 30.0*dfrq; /* AROMATIC spectrum only, centered on 120ppm */ else dofa = dof + 10*dfrq; /* CHECK VALIDITY OF PARAMETER RANGES */ if( dpwrf < 4095 ) { printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse"); psg_abort(1); } if( pwC > (24.0e-6*600.0/sfrq) ) { printf("Increase pwClvl so that pwC < 24*600/sfrq"); psg_abort(1); } if((dm[A] == 'y' || dm[B] == 'y' )) { printf("incorrect Dec1 decoupler flags! "); psg_abort(1);} if((dm2[A] == 'y' || dm2[B] == 'y')) { printf("incorrect Dec2 decoupler flags! "); psg_abort(1);} if((dm3[A] == 'y' || dm3[C] == 'y' )) {printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); } if ((dm3[B] == 'y' && dpwr3 > 44 )) { printf("Deuterium decoupling power too high ! "); psg_abort(1);} if( dpwr > 50 ) { printf("don't fry the probe, dpwr too large! "); psg_abort(1);} if( dpwr2 > 50 ) { printf("don't fry the probe, dpwr2 too large! "); psg_abort(1); } /* CHOICE OF PULSE SEQUENCE */ if ( ((ribose[A]=='y') && (aromatic[A]=='y')) ) { text_error("Choose ONE of ribose='y' OR aromatic='y' ! "); psg_abort(1); } if ( ((aromatic[A]=='y') && (RELAY[A]=='y')) ) { text_error("No RELAY with aromatic='y' ! "); psg_abort(1); } /* LOAD VARIABLES */ settable(t1, 2, phi1); settable(t2, 4, phi2); settable(t3, 16, phi3); settable(t4, 2, phi4); settable(t11,8, rec); /* INITIALIZE VARIABLES */ /* Phase incrementation for hypercomplex data */ if ( phase1 == 2 ) /* Hypercomplex in t1 */ tsadd(t1,1,4); if ( phase2 == 2 ) tsadd(t2,1,4); /* calculate modification to phases based on current t1 values to achieve States-TPPI acquisition */ if(ix == 1) d2_init = d2; t1_counter = (int)((d2-d2_init)*sw1 + 0.5); if(t1_counter % 2) { tsadd(t1,2,4); tsadd(t11,2,4); } /* calculate modification to phases based on current t2 values to achieve States-TPPI acquisition */ if(ix == 1) d3_init = d3; t2_counter = (int)((d3-d3_init)*sw2 + 0.5); if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t11,2,4); } /* set up so that get (90, -180) phase corrects in F1 if f1180 flag is y */ tau1 = d2; if(f1180[A] == 'y') { tau1 += (1.0/(2.0*sw1)); } if (tau1 < 1.0e-6) tau1 = 0.0; tau1 = tau1/2.0; /* set up so that get (90, -180) phase corrects in F2 if f2180 flag is y */ tau2 = d3; if(f2180[A] == 'y') { tau2 += (1.0/(2.0*sw2)); } if (tau2 < 1.0e-6) tau2 = 0.0; tau2 = tau2/2.0; if (ni > 1) delta1 = (double)(t1_counter*(lambda - gt5 - 0.2e-3))/((double)(ni-1)); else delta1 = 0.0; if (ni2 > 1) delta2 = (double)(t2_counter*(tCC - 0.6e-3))/((double)(ni2-1)); else delta2 = 0.0; initval(7.0, v1); obsstepsize (45.0); /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); obsoffset(tof); decoffset(dofa); dec2offset(dof2); obspower(tpwr-12); decpower(pwClvl); decpwrf(rfC); dec2power(pwNlvl); decphase(zero); dec2phase(zero); if (sspul[0] == 'y') { rgpulse(200*pw, one, 10.0e-6, 0.0e-6); rgpulse(200*pw, zero, 0.0e-6, 1.0e-6); } obspower(tpwr); xmtrphase(v1); txphase(t1); if (dm3[B] == 'y') lk_sample(); delay(d1); if (dm3[B] == 'y') lk_hold(); rcvroff(); decrgpulse(pwC, zero, rof1, rof1); delay(rof1); zgradpulse(gzlvl0,0.5e-3); delay(grecov); if(dm3[B] == 'y') /*optional 2H decoupling on */ { dec3unblank(); dec3rgpulse(1/dmf3, one, 0.0, 0.0); dec3unblank(); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); } status(B); rgpulse(pw, t1, 1.0e-4, rof1); xmtrphase(zero); txphase(zero); zgradpulse(gzlvl5,gt5); /* decpwrf(rfst); delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY - POWER_DELAY - WFG2_START_DELAY - 0.5e-3 + 70.0e-6 + tau1); decshaped_pulse(rna_stCshape, 1.0e-3, zero, 0.0, 0.0); delay(tau1 - delta1); rgpulse(2.0*pw, zero, 0.0, rof1); txphase(one); decpwrf(rfC); zgradpulse(gzlvl5,gt5); delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY - POWER_DELAY - 0.5e-3 + 70.0e-6); */ delay(lambda - gt5 - rof1 - SAPS_DELAY - GRADIENT_DELAY + tau1); decrgpulse(2*pwC, zero, 0.0, 0.0); delay(tau1 - delta1); rgpulse(2.0*pw, zero, 0.0, rof1); txphase(one); zgradpulse(gzlvl5,gt5); delay(lambda - delta1 - gt5 - rof1 - GRADIENT_DELAY); rgpulse(pw, one, 0.0, rof1); decphase(t2); txphase(zero); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl3,gt3); else zgradpulse(gzlvl3,gt3); delay(grecov); decrgpulse(pwC, t2, rof1, 0.0); decphase(zero); delay(tau2); dec2rgpulse(2.0*pwN,zero,0.0,0.0); delay(tCH - 2*pwN); rgpulse(2.0*pw, zero, 0.0, 0.0); decphase(t3); delay(tCC - tCH + tau2 - delta2 - 2.0*pw); decrgpulse(2.0*pwC, t3, 0.0, 0.0); decphase(t4); delay(tCC - delta2); decrgpulse(pwC, t4, 0.0, rof1); txphase(zero); decphase(zero); if(RELAY[A] == 'y') { zgradpulse(gzlvl4, gt4); delay(tCC - gt4 - GRADIENT_DELAY - pwC); decrgpulse(2.0*pwC, zero, 0.0, 0.0); zgradpulse(gzlvl4, gt4); delay(tCC - gt4 - GRADIENT_DELAY - pwC); decrgpulse(pwC, zero, 0.0, 0.0); } zgradpulse(gzlvl4,gt4); delay(tCC - gt4); decrgpulse(2.0*pwC, zero, 0.0, rof1); if (H2O_flg[A] == 'y') { delay(tCC - gt4 - grecov - POWER_DELAY); zgradpulse(gzlvl4,gt4); txphase(one); decphase(one); delay(grecov); decrgpulse(pwC, one, 0.0, rof1); rgpulse(900*pw, one, 0.0, rof1); txphase(zero); rgpulse(500*pw, zero, rof1, rof1); decphase(one); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl7,gt7); else zgradpulse(gzlvl7,gt7); delay(200.0e-6); simpulse(pw, pwC, zero, one, 0.0, rof1); decphase(zero); zgradpulse(gzlvl4,gt4); delay(tCH - gt4); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, rof1); zgradpulse(gzlvl4,gt4); delay(tCH - gt4); } else { delay(tCC - tCH - 2.0*pw - POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, rof1); zgradpulse(gzlvl4,gt4); delay(tCH - gt4 - rof1); } decrgpulse(pwC, zero, 0.0, rof1); txphase(zero); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl8,gt8); else zgradpulse(gzlvl8,gt8); delay(grecov); if(dm3[B] == 'y') /*optional 2H decoupling off */ { dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank(); setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank(); } rgpulse(pw, zero, 0.0, rof1); if (SHAPE[A] =='y') { decpwrf(rfst); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl9,gt9); else zgradpulse(gzlvl9,gt9); delay(lambda - gt9 - GRADIENT_DELAY - POWER_DELAY - WFG2_START_DELAY - 0.5e-3 + 70.0e-6); simshaped_pulse("",rna_stCshape,2*pw, 1.0e-3, zero, zero, 0.0, rof1); decphase(zero); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl9,gt9); else zgradpulse(gzlvl9,gt9); decpwrf(rfC); if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr); delay(lambda - gt9 -rof1 -0.5*pw - 2*POWER_DELAY - GRADIENT_DELAY - 0.5e-3 + 70.0e-6); } else { if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl9,gt9); else zgradpulse(gzlvl9,gt9); delay(lambda - gt9 - GRADIENT_DELAY); simpulse(2*pw, 2*pwC, zero, zero, 0.0, rof1); if(mag_flg[A] == 'y') magradpulse(gzcal*gzlvl9,gt9); else zgradpulse(gzlvl9,gt9); if (STUD[A]=='y') decpower(studlvl); else decpower(dpwr); delay(lambda - gt9 -rof1 -0.5*pw - POWER_DELAY - GRADIENT_DELAY); } rgpulse(pw, zero, rof1, rof2); rcvron(); if (dm3[B] == 'y') lk_sample(); setreceiver(t11); if ((STUD[A]=='y') && (dm[C] == 'y')) { decunblank(); decon(); decprgon(rna_stCdec,1/stdmf, 1.0); startacq(alfa); acquire(np, 1.0/sw); decprgoff(); decoff(); decblank(); } else status(C); setreceiver(t11); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ int t1_counter; /* used for states tppi in t1 */ double tau1, /* t1 delay */ TC = getval("TC"), /* delay 1/(2JC'C) ~ 9.1 ms */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ rf0, /* maximum fine power when using pwC pulses */ ppm, /* 90 degree pulse at CO (174ppm) */ pwCO_90, /* 90 degree pulse length on C13 */ pwrCO_90, /*fine power */ CO_bw, /* 180 degree pulse at CO (174ppm) */ pwCO_180, /* 180 degree pulse length at rf2 */ pwrCO_180, /* fine power */ /* 90 degree pulse at C-aliph (35ppm) */ pwCaliph1, /* 90 degree pulse on C-aliphatic */ pwrCaliph1, /* fine power */ CA_bw, CA_ofs, /* fine power */ /* 180 degree pulse at C-aliph (35ppm) */ pwCaliph2, /* 180 degree pulse on C-aliphatic */ pwrCaliph2, /* fine power */ sw1 = getval("sw1"), gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"), gt2 = getval("gt2"), gzlvl2 = getval("gzlvl2"), gstab = getval("gstab"); /* LOAD PHASE TABLE */ settable(t1,1,phi1); settable(t2,2,phi2); settable(t3,4,phi3); settable(t12,4,rec); setautocal(); /* activate auto-calibration */ /* INITIALIZE VARIABLES */ /* maximum fine power for pwC pulses */ rf0 = 4095.0; /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (phase1 == 2) tsadd(t2,1,4); tau1 = d2; tau1 = tau1/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t2,2,4); tsadd(t12,2,4); } if (autocal[0] == 'y') { if (FIRST_FID) { ppm = getval("sfrq"); ofs_check(C13ofs); CO_bw=80*ppm; CA_bw=100*ppm; CA_ofs=(35-C13ofs)*ppm; CO_90 = pbox_make("CO_90", "Q5", CO_bw, 0.0, pwC*compC, pwClvl); CO_180 = pbox_make("CO_180", "square180r", CO_bw, 0.0, pwC*compC, pwClvl); CA_90 = pbox_make("CA_90", "Q5", CA_bw, CA_ofs, pwC*compC, pwClvl); CA_180 = pbox_make("CA_180", "square180r", CA_bw, CA_ofs, pwC*compC, pwClvl); /* pbox_make creates shapes with coarse power at pwClvl and fine power is adjusted */ } } pwCO_90 = CO_90.pw; pwrCO_90 = CO_90.pwrf; pwCO_180 = CO_180.pw; pwrCO_180 = CO_180.pwrf; pwCaliph1 = CA_90.pw; pwrCaliph1 = CA_90.pwrf; pwCaliph2 = CA_180.pw; pwrCaliph2 = CA_180.pwrf; /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); obsoffset(tof); rf0 = 4095.0; obspower(pwClvl); obspwrf(rf0); status(B); obspwrf(pwrCO_90); shapedpulse("CO_90",pwCO_90,zero,0.0,0.0); zgradpulse(gzlvl1,gt1); delay(TC/2.0-gt1); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); obspwrf(pwrCaliph2); shapedpulse("CA_180",pwCaliph2,zero,0.0,0.0); zgradpulse(gzlvl1,gt1); delay(TC/2.0-gt1); obspwrf(pwrCaliph1); shapedpulse("CA_90",pwCaliph1,t2,0.0,0.0); if (tau1 < pwCO_180) { obspwrf(pwrCO_180); delay(tau1); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); delay(tau1); } else { obspwrf(pwrCO_180); delay(tau1-pwCO_180/2.0); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); delay(tau1-pwCO_180/2.0); } obspwrf(pwrCaliph1); shapedpulse("CA_90",pwCaliph1,t3,0.0,0.0); obspwrf(pwrCO_90); shapedpulse("CO_90",pwCO_90,t1,0.0,0.0); zgradpulse(gzlvl2*0.8,gt2); delay(gstab); obspwrf(pwrCO_90); shapedpulse("CO_90",pwCO_90,t1,0.0,rof2); obspwrf(pwrCO_180); /* added for cold probe */ shapedpulse("CO_180",pwCO_180,zero,0.0,rof2); status(C); setreceiver(t12); }
pulsesequence() { void makeHHdec(), makeCdec(); /* utility functions */ int ihh=1, /* used in HH decoupling to improve water suppression */ t1_counter; char C13refoc[MAXSTR], /* C13 sech/tanh pulse in middle of t1 */ Hdecflg[MAXSTR], /* HH-h**o decoupling flag */ Cdecflg[MAXSTR], /* low power C-13 decoupling flag */ TROSY[MAXSTR], wtg3919[MAXSTR]; double tauxh, tau1, pwNt = 0.0, /* pulse only active in the TROSY option */ gsign = 1.0, /* temporary Pbox parameters */ bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ gzlvl3=getval("gzlvl3"), gt3=getval("gt3"), JNH = getval("JNH"), pwN = getval("pwN"), pwNlvl = getval("pwNlvl"), pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */ sw1 = getval("sw1"), pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rfst = 4095.0, /* fine power for the stCall pulse */ compC = getval("compC"), /* adjustment for C13 amplifier compr-n */ tpwrsf = getval("tpwrsf"); /* adjustment for soft pulse power*/ /* INITIALIZE VARIABLES */ getstr("C13refoc",C13refoc); getstr("TROSY",TROSY); getstr("wtg3919",wtg3919); getstr("Hdecflg", Hdecflg); getstr("Cdecflg", Cdecflg); if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */ { /* times more power than a square pulse */ pwHs = getval("pwHs"); compH = getval("compH"); } else pwHs = pw*2.385+7.0*rof1+d3*2.5; tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { if (C13refoc[A]=='y') { /* 180 degree adiabatic C13 pulse from 0 to 200 ppm */ rfst = (compC*4095.0*pwC*4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)); rfst = (int) (rfst + 0.5); if ( 1.0/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35)) < pwC ) { text_error( " Not enough C13 RF. pwC must be %f usec or less.\n", (1.0e6/(4000.0*sqrt((30.0*sfrq/600.0+7.0)/0.35))) ); psg_abort(1); } } if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */ { /* times more power than a square pulse */ if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); else tpwrs = 0.0; tpwrs = (int) (tpwrs); } } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { if (C13refoc[A]=='y') { ppm = getval("dfrq"); ofs = 0.0; pws = 0.001; /* 1 ms long pulse */ bw = 200.0*ppm; nst = 1000; /* nst - number of steps */ stC200 = pbox_makeA("stC200", "sech", bw, pws, ofs, compC*pwC, pwClvl, nst); C13ofs = 100.0; } if(wtg3919[0] != 'y') H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } if (C13refoc[A]=='y') rfst = stC200.pwrf; if (wtg3919[0] != 'y') { pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */ } } if (tpwrsf<4095.0) tpwrs = tpwrs + 6.0; tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3); if(Cdecflg[0] == 'y') makeCdec(); /* make shapes for HH h**o-decoupling */ if(Hdecflg[0] == 'y') makeHHdec(); if(Hdecflg[0] != 'n') ihh = -3; /* check validity of parameter range */ if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )) { text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y') ) { text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); } if( dpwr > 0 ) { text_error("don't fry the probe, dpwr too large! "); psg_abort(1); } if( dpwr2 > 50 ) { text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); } if ((TROSY[A]=='y') && (dm2[C] == 'y')) { text_error("Choose either TROSY='n' or dm2='n' ! "); psg_abort(1); } /* LOAD VARIABLES */ if(ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5); tau1 = d2/2.0 - pw; if(tau1 < 0.0) tau1 = 0.0; /* LOAD PHASE TABLES */ settable(t6, 4, recT); if (TROSY[A] == 'y') { gsign = -1.0; pwNt = pwN; assign(zero,v7); assign(two,v8); settable(t1, 1, phT1); settable(t2, 4, phT2); settable(t3, 1, phT4); settable(t4, 1, phT4); settable(t5, 4, recT); } else { assign(one,v7); assign(three,v8); settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 8, phi3); settable(t4, 1, phi4); settable(t5, 8, rec); } if ( phase1 == 2 ) /* Hypercomplex in t1 */ { if (TROSY[A] == 'y') { tsadd(t3, 2, 4); tsadd(t5, 2, 4); } else tsadd(t2, 1, 4); } if(t1_counter %2) /* calculate modification to phases based on */ { tsadd(t2,2,4); tsadd(t5,2,4); tsadd(t6,2,4); } /* current t1 values */ if(wtg3919[0] != 'y') { add(one,v7,v7); add(one,v8,v8); } /* sequence starts!! */ status(A); obspower(tpwr); dec2power(pwNlvl); decpower(pwClvl); decpwrf(rfst); if(Hdecflg[0] != 'n') { delay(5.0e-5); rgpulse(pw,zero,rof1,0.0); rgpulse(pw,one,0.0,rof1); zgradpulse(1.5*gzlvl3, 0.5e-3); delay(5.0e-4); rgpulse(pw,zero,rof1,0.0); rgpulse(pw,one,0.0,rof1); zgradpulse(-gzlvl3, 0.5e-3); } delay(d1); rcvroff(); status(B); rgpulse(pw, zero, rof1, rof1); zgradpulse(0.3*gzlvl3,gt3); txphase(zero); dec2phase(zero); delay(tauxh-gt3); /* delay=1/4J(XH) */ sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1); zgradpulse(0.3*gzlvl3,gt3); dec2phase(t2); delay(tauxh-gt3 ); /* delay=1/4J(XH) */ rgpulse(pw, t1, rof1, rof1); zgradpulse(0.5*gsign*ihh*gzlvl3,gt3); delay(200.0e-6); decphase(zero); if (TROSY[A] == 'y') { txphase(t3); if ( phase1 == 2 ) dec2rgpulse(pwN, t6, rof1, 0.0); else dec2rgpulse(pwN, t2, rof1, 0.0); if ( (C13refoc[A]=='y') && (d2 > 1.0e-3 + 2.0*WFG2_START_DELAY) ) { delay(d2/2.0 - 0.5e-3 - WFG2_START_DELAY); decshaped_pulse("stC200", 1.0e-3, zero, 0.0, 0.0); delay(d2/2.0 - 0.5e-3 - WFG2_STOP_DELAY); } else delay(d2); rgpulse(pw, t3, 0.0, rof1); zgradpulse(0.65*gzlvl3,gt3); delay(tauxh-gt3 ); sim3pulse(2*pw,0.0,2*pwN,zero,zero,zero,rof1,rof1); zgradpulse(0.65*gzlvl3,gt3); delay(tauxh-gt3 ); sim3pulse(pw,0.0,pwN,zero,zero,t3,rof1,rof1); } else { txphase(t4); dec2rgpulse(pwN, t2, rof1, 0.0); if ( (C13refoc[A]=='y') && (tau1 > 0.5e-3 + WFG2_START_DELAY) ) { delay(tau1 - 0.5e-3 - WFG2_START_DELAY); simshaped_pulse("", "stC200", 2.0*pw, 1.0e-3, t4, zero, 0.0, 0.0); dec2phase(t3); delay(tau1 - 0.5e-3 - WFG2_STOP_DELAY); } else { delay(tau1); rgpulse(2.0*pw, t4, 0.0, 0.0); dec2phase(t3); delay(tau1); } dec2rgpulse(pwN, t3, 0.0, 0.0); zgradpulse(0.5*gzlvl3,gt3); delay(200.0e-6); rgpulse(pw, two, rof1, rof1); } zgradpulse(gzlvl3,gt3); txphase(v7); dec2phase(zero); delay(tauxh-gt3-pwHs-rof1+5.0e-5); if(wtg3919[0] == 'y') { rgpulse(pw*0.231,v7,rof1,rof1); delay(d3); rgpulse(pw*0.692,v7,rof1,rof1); delay(d3); rgpulse(pw*1.462,v7,rof1,rof1); delay(d3/2-pwN); dec2rgpulse(2*pwN, zero, rof1, rof1); txphase(v8); delay(d3/2-pwN); rgpulse(pw*1.462,v8,rof1,rof1); delay(d3); rgpulse(pw*0.692,v8,rof1,rof1); delay(d3); rgpulse(pw*0.231,v8,rof1,rof1); } else { obspower(tpwrs); if (tpwrsf<4095.0) obspwrf(tpwrsf); shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0); obspower(tpwr); if (tpwrsf<4095.0) obspwrf(4095.0); sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0); obspower(tpwrs); if (tpwrsf<4095.0)obspwrf(tpwrsf); shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0); obspower(tpwr); if (tpwrsf<4095.0)obspwrf(4095.0); } zgradpulse(gzlvl3,gt3); if(Cdecflg[0] == 'y') { delay(tauxh-gt3-pwHs-rof1-pwNt-3.0*POWER_DELAY-PRG_START_DELAY); dec2rgpulse(pwNt, zero, rof1, rof1); dec2power(dpwr2); rcvron(); statusdelay(C,5.0e-5); setreceiver(t5); pbox_decon(&Cdseq); if(Hdecflg[0] == 'y') homodec(&HHdseq); } else { delay(tauxh-gt3-pwHs-rof1-pwNt-POWER_DELAY); dec2rgpulse(pwNt, zero, rof1, rof1); dec2power(dpwr2); rcvron(); statusdelay(C,5.0e-5); setreceiver(t5); if(Hdecflg[0] == 'y') homodec(&HHdseq); } }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ mag_flg[MAXSTR], /* magic-angle coherence transfer gradients */ TROSY[MAXSTR]; /* To check for TROSY flag */ int icosel, /* used to get n and p type */ t1_counter, /* used for states tppi in t1 */ t2_counter, /* used for states tppi in t2 */ ni2 = getval("ni2"); double p_d, rfd, ncyc, COmix = getval("COmix"), p_trim, rftrim, tau1, /* t1 delay */ tau2, /* t2 delay */ timeTN = getval("timeTN"), /* constant time for 15N evolution */ kappa = 5.4e-3, lambda = 2.4e-3, pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rf0, /* maximum fine power when using pwC pulses */ bw, ofs, ppm, /* bandwidth, offset, ppm - temporary Pbox parameters */ /* the following pulse lengths for SLP pulses are automatically calculated */ /* by the macro "biocal". SLP pulse shapes, "offC3" etc are called */ /* directly from your shapelib. */ pwC3 = getval("pwC3"), /*180 degree pulse at Ca(56ppm) null at CO(174ppm) */ pwC3a, /* pwC3a=pwC3, but not set to zero when pwC3=0 */ phshift3, /* phase shift induced on CO by pwC3 ("offC3") pulse */ pwZ, /* the largest of pwC3 and 2.0*pwN */ pwZ1, /* the largest of pwC3a and 2.0*pwN for 1D experiments */ pwC6, /* 90 degree selective sinc pulse on CO(174ppm) */ pwC8, /* 180 degree selective sinc pulse on CO(174ppm) */ rf3, /* fine power for the pwC3 ("offC3") pulse */ rf6, /* fine power for the pwC6 ("offC6") pulse */ rf8, /* fine power for the pwC8 ("offC8") pulse */ compH = getval("compH"), /* adjustment for C13 amplifier compression */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ pwHs = getval("pwHs"), /* H1 90 degree pulse length at tpwrs */ tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback */ tpwrs, /* power for the pwHs ("H2Osinc") pulse */ pwHd, /* H1 90 degree pulse length at tpwrd */ tpwrd, /* rf for WALTZ decoupling */ waltzB1 = getval("waltzB1"), /* waltz16 field strength (in Hz) */ pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt1 = getval("gt1"), /* coherence pathway gradients */ gzcal = getval("gzcal"), /* g/cm to DAC conversion factor */ gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), gt0 = getval("gt0"), /* other gradients */ gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"), gstab = getval("gstab"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"); getstr("f1180",f1180); getstr("f2180",f2180); getstr("mag_flg",mag_flg); getstr("TROSY",TROSY); /* LOAD PHASE TABLE */ settable(t3,2,phi3); settable(t4,1,phx); settable(t5,4,phi5); settable(t8,1,phx); settable(t9,8,phi9); settable(t10,1,phx); settable(t11,1,phy); settable(t12,4,rec); /* INITIALIZE VARIABLES */ if( dpwrf < 4095 ) { printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse"); psg_abort(1); } /* maximum fine power for pwC pulses */ rf0 = 4095.0; setautocal(); /* activate auto-calibration */ if (autocal[0] == 'n') { /* offC3 - 180 degree pulse on Ca, null at CO 118ppm away */ pwC3a = getval("pwC3a"); rf3 = (compC*4095.0*pwC*2.0)/pwC3a; rf3 = (int) (rf3 + 0.5); /* 90 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */ pwC6 = getval("pwC6"); rf6 = (compC*4095.0*pwC*1.69)/pwC6; /* needs 1.69 times more */ rf6 = (int) (rf6 + 0.5); /* power than a square pulse */ /* 180 degree one-lobe sinc pulse on CO, null at Ca 118ppm away */ pwC8 = getval("pwC8"); rf8 = (compC*4095.0*pwC*2.0*1.65)/pwC8; /* needs 1.65 times more */ rf8 = (int) (rf8 + 0.5); /* power than a square pulse */ /* selective H20 one-lobe sinc pulse */ tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); /* needs 1.69 times more */ tpwrs = (int) (tpwrs); /* power than a square pulse */ /* power level and pulse time for WALTZ 1H decoupling */ pwHd = 1/(4.0 * waltzB1) ; tpwrd = tpwr - 20.0*log10(pwHd/(compH*pw)); tpwrd = (int) (tpwrd + 0.5); } else /* if autocal = 'y'(yes), 'q'(quiet), 'r'(read) or 's'(semi) */ { if(FIRST_FID) /* make shapes */ { ppm = getval("dfrq"); bw = 118.0*ppm; ofs = -bw; offC3 = pbox_make("offC3", "square180n", bw, ofs, compC*pwC, pwClvl); offC6 = pbox_make("offC6", "sinc90n", bw, 0.0, compC*pwC, pwClvl); offC8 = pbox_make("offC8", "sinc180n", bw, 0.0, compC*pwC, pwClvl); H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr); wz16 = pbox_Dcal("WALTZ16", 2.8*waltzB1, 0.0, compH*pw, tpwr); ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } pwC3a = offC3.pw; rf3 = offC3.pwrf; /* set up parameters */ pwC6 = offC6.pw; rf6 = offC6.pwrf; pwC8 = offC8.pw; rf8 = offC8.pwrf; pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; /* 1dB correction applied */ tpwrd = wz16.pwr; pwHd = 1.0/wz16.dmf; } if (tpwrsf < 4095.0) tpwrs = tpwrs + 6.0; /* the pwC3 pulse at the middle of t1 */ if ((ni2 > 0.0) && (ni == 1.0)) ni = 0.0; if (pwC3a > 2.0*pwN) pwZ = pwC3a; else pwZ = 2.0*pwN; if ((pwC3==0.0) && (pwC3a>2.0*pwN)) pwZ1=pwC3a-2.0*pwN; else pwZ1=0.0; if ( ni > 1 ) pwC3 = pwC3a; if ( pwC3 > 0 ) phshift3 = 48.0; else phshift3 = 0.0; /* dipsi-3 decoupling on COCO */ p_trim = 1/(4*5000*(sfrq/600.0)); /* 5 kHz trim pulse at 600MHz as per Bax */ p_d = (5.0)/(9.0*4.0*2800.0*(sfrq/600.0)); /* 2.8 kHz DIPSI-3 at 600MHz as per Bax*/ rftrim = (compC*4095.0*pwC)/p_trim; rftrim = (int)(rftrim+0.5); rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0); rfd = (int) (rfd + 0.5); ncyc = ((COmix - 0.002)/51.8/4/p_d); ncyc = (int) (ncyc + 0.5); initval(ncyc,v9); /* CHECK VALIDITY OF PARAMETER RANGES */ if ( 0.5*ni2*1/(sw2) > timeTN - WFG3_START_DELAY) { printf(" ni2 is too big. Make ni2 equal to %d or less.\n", ((int)((timeTN - WFG3_START_DELAY)*2.0*sw2))); psg_abort(1);} if ( dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' ) { printf("incorrect dec1 decoupler flags! Should be 'nnn' "); psg_abort(1);} if ( dm2[A] == 'y' || dm2[B] == 'y' ) { printf("incorrect dec2 decoupler flags! Should be 'nny' "); psg_abort(1);} if ( dpwr2 > 50 ) { printf("dpwr2 too large! recheck value "); psg_abort(1);} if ( pw > 50.0e-6 ) { printf(" pw too long ! recheck value "); psg_abort(1);} if ( (pwN > 100.0e-6) && (ni>1 || ni2>1)) { printf(" pwN too long! recheck value "); psg_abort(1);} if ( TROSY[A] == 'y') { printf(" TROSY option is not implemented"); psg_abort(1);} /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (phase1 == 2) tsadd(t3,1,4); if (phase2 == 2) {tsadd(t10,2,4); icosel = +1;} else icosel = -1; /* Set up f1180 */ tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } /* Set up f2180 */ tau2 = d3; if((f2180[A] == 'y') && (ni2 > 1.0)) { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t12,2,4); } if( ix == 1) d3_init = d3; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); } /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); rcvroff(); obspower(tpwr); decpower(pwClvl); dec2power(pwNlvl); decpwrf(rf0); obsoffset(tof); txphase(zero); delay(1.0e-5); dec2rgpulse(pwN, zero, 0.0, 0.0); /*destroy N15 and C13 magnetization*/ decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(gzlvl0, 0.5e-3); delay(1.0e-4); dec2rgpulse(pwN, one, 0.0, 0.0); decrgpulse(pwC, zero, 0.0, 0.0); zgradpulse(0.7*gzlvl0, 0.5e-3); delay(5.0e-4); rgpulse(pw,zero,0.0,0.0); /* 1H pulse excitation */ dec2phase(zero); zgradpulse(gzlvl0, gt0); delay(lambda - gt0); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); txphase(one); zgradpulse(gzlvl0, gt0); delay(lambda - gt0); rgpulse(pw, one, 0.0, 0.0); txphase(zero); obspower(tpwrs); if (tpwrsf<4095.0) obspwrf(tpwrsf); shaped_pulse("H2Osinc", pwHs, zero, 5.0e-4, 0.0); obspower(tpwrd); if (tpwrsf<4095.0) obspwrf(4095.0); zgradpulse(gzlvl3, gt3); delay(2.0e-4); dec2rgpulse(pwN, zero, 0.0, 0.0); txphase(one); delay(kappa - pwHd - 2.0e-6 - PRG_START_DELAY); rgpulse(pwHd,one,0.0,0.0); txphase(zero); delay(2.0e-6); obsprgon("waltz16", pwHd, 90.0); /* PRG_START_DELAY */ xmtron(); decphase(zero); dec2phase(zero); decpwrf(rf8); delay(timeTN - kappa - WFG3_START_DELAY); /* WFG3_START_DELAY */ sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, zero, 0.0, 0.0); decphase(t3); decpwrf(rf6); delay(timeTN); dec2rgpulse(pwN, zero, 0.0, 0.0); xmtroff(); obsprgoff(); rgpulse(pwHd,three,2.0e-6,0.0); zgradpulse(gzlvl3, gt3); delay(2.0e-4); /***************************************************************/ /* The sequence is different from here with respect to ghn_co **/ /***************************************************************/ rgpulse(pwHd,one,2.0e-6,0.0); /* H1 decoupler is turned on */ txphase(zero); delay(2.0e-6); obsprgon("waltz16", pwHd, 90.0); xmtron(); decshaped_pulse("offC6", pwC6, t3, 0.0, 0.0); decphase(zero); /* Refocus CO, evolve CO, spinlock CO and defocus CO */ delay(timeTN - tau1/2 - 0.6*pwC6 - WFG3_START_DELAY); decpwrf(rf8); sim3shaped_pulse("", "offC8","",0.0,pwC8, 2.0*pwN, zero,zero,zero,0.0,0.0); decpwrf(rf3); delay(timeTN - WFG3_STOP_DELAY - WFG_START_DELAY - pwC3a/2); decshaped_pulse("offC3",pwC3a,zero,0.0,0.0); if (tau1 > 0) delay(tau1/2 - WFG_STOP_DELAY - pwC3a/2 - 2.0e-6); else delay(tau1/2); /*******DO SPINLOCK ********/ decpwrf(rftrim); decrgpulse(0.002,zero,2.0e-6,0.0); decpwrf(rfd); starthardloop(v9); decrgpulse(6.4*p_d,zero,0.0,0.0); decrgpulse(8.2*p_d,two,0.0,0.0); decrgpulse(5.8*p_d,zero,0.0,0.0); decrgpulse(5.7*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.5*p_d,zero,0.0,0.0); decrgpulse(5.3*p_d,two,0.0,0.0); decrgpulse(7.4*p_d,zero,0.0,0.0); decrgpulse(6.4*p_d,two,0.0,0.0); decrgpulse(8.2*p_d,zero,0.0,0.0); decrgpulse(5.8*p_d,two,0.0,0.0); decrgpulse(5.7*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.5*p_d,two,0.0,0.0); decrgpulse(5.3*p_d,zero,0.0,0.0); decrgpulse(7.4*p_d,two,0.0,0.0); decrgpulse(6.4*p_d,two,0.0,0.0); decrgpulse(8.2*p_d,zero,0.0,0.0); decrgpulse(5.8*p_d,two,0.0,0.0); decrgpulse(5.7*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.5*p_d,two,0.0,0.0); decrgpulse(5.3*p_d,zero,0.0,0.0); decrgpulse(7.4*p_d,two,0.0,0.0); decrgpulse(6.4*p_d,zero,0.0,0.0); decrgpulse(8.2*p_d,two,0.0,0.0); decrgpulse(5.8*p_d,zero,0.0,0.0); decrgpulse(5.7*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.5*p_d,zero,0.0,0.0); decrgpulse(5.3*p_d,two,0.0,0.0); decrgpulse(7.4*p_d,zero,0.0,0.0); endhardloop(); decpwrf(4095.0); /* End of spinlock */ delay(timeTN - WFG3_START_DELAY); decpwrf(rf8); sim3shaped_pulse("","offC8","",0.0,pwC8,2*pwN,zero,zero,zero,0.0,0.0); decpwrf(rf6); delay(timeTN - WFG3_STOP_DELAY); /***************************************************************/ /* The sequence is same as ghn_co from this point ********/ /***************************************************************/ decshaped_pulse("offC6", pwC6, t5, 0.0, 0.0); /* xxxxxxxxxxxxxxxxxx OPTIONS FOR N15 EVOLUTION xxxxxxxxxxxxxxxxxxxxx */ dec2phase(t8); zgradpulse(gzlvl4, gt4); txphase(one); dcplrphase(zero); delay(2.0e-4); dec2rgpulse(pwN, t8, 0.0, 0.0); decphase(zero); dec2phase(t9); decpwrf(rf8); delay(timeTN - WFG3_START_DELAY - tau2); /* WFG3_START_DELAY */ sim3shaped_pulse("", "offC8", "", 0.0, pwC8, 2.0*pwN, zero, zero, t9, 0.0, 0.0); dec2phase(t10); decpwrf(rf3); if (tau2 > kappa) { delay(timeTN - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0); delay(tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ rgpulse(pwHd,three,2.0e-6,0.0); txphase(t4); delay(kappa - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - POWER_DELAY); } else if (tau2 > (kappa - pwC3a - WFG_START_DELAY)) { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ rgpulse(pwHd,three,2.0e-6,0.0); txphase(t4); /* WFG_START_DELAY */ decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0); delay(kappa -pwC3a -WFG_START_DELAY -gt1 -2.0*GRADIENT_DELAY -1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - POWER_DELAY); } else if (tau2 > gt1 + 2.0*GRADIENT_DELAY + 1.0e-4) { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ rgpulse(pwHd,three,2.0e-6,0.0); txphase(t4); delay(kappa - tau2 - pwC3a - WFG_START_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0); delay(tau2 - gt1 - 2.0*GRADIENT_DELAY - 1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - POWER_DELAY); } else { delay(timeTN + tau2 - kappa - PRG_STOP_DELAY - pwHd - 2.0e-6); xmtroff(); obsprgoff(); /* PRG_STOP_DELAY */ rgpulse(pwHd,three,2.0e-6,0.0); txphase(t4); delay(kappa-tau2-pwC3a-WFG_START_DELAY-gt1-2.0*GRADIENT_DELAY-1.0e-4); if (mag_flg[A]=='y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ obspower(tpwr); /* POWER_DELAY */ delay(1.0e-4 - POWER_DELAY); /* WFG_START_DELAY */ decshaped_pulse("offC3", pwC3a, zero, 0.0, 0.0); delay(tau2); } /* xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx */ sim3pulse(pw, 0.0, pwN, t4, zero, t10, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl5, gt5); delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl5, gt5); txphase(one); dec2phase(t11); delay(lambda - 1.3*pwN - gt5); sim3pulse(pw, 0.0, pwN, one, zero, t11, 0.0, 0.0); txphase(zero); dec2phase(zero); zgradpulse(gzlvl6, gt5); delay(lambda - 1.3*pwN - gt5); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); dec2phase(t10); zgradpulse(gzlvl6, gt5); delay(lambda - 0.65*pwN - gt5); rgpulse(pw, zero, 0.0, 0.0); delay((gt1/10.0) + 1.0e-4 +gstab - 0.5*pw + 2.0*GRADIENT_DELAY + POWER_DELAY); rgpulse(2.0*pw, zero, 0.0,0.0); dec2power(dpwr2); /* POWER_DELAY */ if (mag_flg[A] == 'y') magradpulse(icosel*gzcal*gzlvl2, gt1/10.0); else zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */ delay(gstab); rcvron(); statusdelay(C,1.0e-4); setreceiver(t12); }
pulsesequence() { int t1_counter; char CCLS[MAXSTR], /* C13 refocussing pulse in middle of t1 */ wtg3919[MAXSTR], f1180[MAXSTR]; /* Flag to start t1 @ halfdwell */ double timeCT=getval("timeCT"), tauxh, tau1, gzlvl3=getval("gzlvl3"), gzlvl4=getval("gzlvl4"), gt3=getval("gt3"), gt4=getval("gt4"), gstab=getval("gstab"), /* gradient recovery delay */ JNH = getval("JNH"), pwN = getval("pwN"), pwNlvl = getval("pwNlvl"), pwHs, tpwrs=0.0, compH=1.0, /* H1 90 degree pulse length at tpwrs */ sw1 = getval("sw1"), /* temporary Pbox parameters */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"); /* C13 90 degree pulse length at pwClvl */ getstr("CCLS",CCLS); getstr("wtg3919",wtg3919); getstr("f1180",f1180); /* check validity of parameter range */ if((dm[A] == 'y' || dm[B] == 'y' || dm[C] == 'y' )) { text_error("incorrect Dec1 decoupler flags! "); psg_abort(1); } if((dm2[A] == 'y' || dm2[B] == 'y') ) { text_error("incorrect Dec2 decoupler flags! "); psg_abort(1); } if( dpwr2 > 50 ) { text_error("don't fry the probe, dpwr2 too large! "); psg_abort(1); } /* INITIALIZE VARIABLES */ if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */ { /* times more power than a square pulse */ pwHs = getval("pwHs"); compH = getval("compH"); } else pwHs = pw*2.385+7.0*rof1+d3*2.5; tauxh = ((JNH != 0.0) ? 1/(4*(JNH)) : 2.25e-3); setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { if(wtg3919[0] != 'y') /* selective H20 one-lobe sinc pulse needs 1.69 */ { /* times more power than a square pulse */ if (pwHs > 1e-6) tpwrs = tpwr - 20.0*log10(pwHs/(compH*pw*1.69)); else tpwrs = 0.0; tpwrs = (int) (tpwrs); } } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { if(wtg3919[0] != 'y') H2Osinc = pbox_Rsh("H2Osinc", "sinc90", pwHs, 0.0, compH*pw, tpwr); } if (wtg3919[0] != 'y') { pwHs = H2Osinc.pw; tpwrs = H2Osinc.pwr-1.0; } /* 1dB correction applied */ } /* LOAD VARIABLES */ if(ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5); /* Set up f1180 */ tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } tau1 = tau1/2.0; /* LOAD PHASE TABLES */ assign(one,v7); assign(three,v8); settable(t1, 4, phi1); settable(t2, 2, phi2); settable(t3, 8, phi3); settable(t4, 16, phi4); settable(t5, 8, rec); if ( phase1 == 2 ) tsadd(t2, 1, 4); if(t1_counter %2) /* calculate modification to phases based on */ { tsadd(t2,2,4); tsadd(t5,2,4); } /* current t1 values */ if(wtg3919[0] != 'y') { add(one,v7,v7); add(one,v8,v8); } /* sequence starts!! */ status(A); obspower(tpwr); dec2power(pwNlvl); decpower(pwClvl); decpwrf(4095.0); delay(d1); status(B); rgpulse(pw, zero, rof1, rof1); zgradpulse(0.3*gzlvl3,gt3); txphase(zero); dec2phase(zero); delay(tauxh-gt3); /* delay=1/4J(XH) */ sim3pulse(2*pw,0.0,2*pwN,t4,zero,zero,rof1,rof1); zgradpulse(0.3*gzlvl3,gt3); dec2phase(t2); delay(tauxh-gt3 ); /* delay=1/4J(XH) */ rgpulse(pw, t1, rof1, rof1); decphase(zero); txphase(t4); zgradpulse(gzlvl3,gt3); delay(gstab); dec2rgpulse(pwN, t2, rof1, rof1); /* CT EVOLUTION BEGINS */ dec2phase(t3); delay(timeCT -SAPS_DELAY -tau1); if (CCLS[A]=='y') { sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0); delay(timeCT -2.0*pw); rgpulse(2.0*pw, t4, 0.0, 0.0); } else { dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); delay(timeCT -2.0*pwC); simpulse(2.0*pw, 2.0*pwC, t4, zero, 0.0, 0.0); } delay(tau1); /* CT EVOLUTION ENDS */ dec2rgpulse(pwN, t3, rof1, rof1); zgradpulse(gzlvl3,gt3); delay(gstab); rgpulse(pw, two, rof1, rof1); decrgpulse(pwC, zero, rof1, rof1); zgradpulse(gzlvl4,gt4); txphase(v7); dec2phase(zero); delay(tauxh -gt4 -pwHs -rof1 -2.0*pwC -2.0*rof1); if(wtg3919[0] == 'y') { rgpulse(pw*0.231,v7,rof1,rof1); delay(d3); rgpulse(pw*0.692,v7,rof1,rof1); delay(d3); rgpulse(pw*1.462,v7,rof1,rof1); delay(d3/2-pwN); dec2rgpulse(2*pwN, zero, rof1, rof1); txphase(v8); delay(d3/2-pwN); rgpulse(pw*1.462,v8,rof1,rof1); delay(d3); rgpulse(pw*0.692,v8,rof1,rof1); delay(d3); rgpulse(pw*0.231,v8,rof1,rof1); } else { obspower(tpwrs); shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0); obspower(tpwr); sim3pulse(2.0*pw, 0.0, 2.0*pwN, v8, zero, zero, 0.0, 0.0); obspower(tpwrs); shaped_pulse("H2Osinc", pwHs, v7, rof1, 0.0); obspower(tpwr); } zgradpulse(gzlvl4,gt4); delay(tauxh -gt4 -pwHs -rof1 -POWER_DELAY); dec2power(dpwr2); status(C); setreceiver(t5); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ int t1_counter, t2_counter; /* used for states tppi in t1 & t2*/ char IPAP[MAXSTR]; double tau1, /* t1 delay */ tau2, /* t2 delay */ TC = getval("TC"), /* delay 1/(2JCACB) ~ 7.0ms in Ref. */ del = getval("del"), /* delay del = 1/(2JC'C) ~ 9.0ms in Ref. */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ rf0, /* maximum fine power when using pwC pulses */ ppm, /* 90 degree pulse at CO (174ppm) */ pwCO_90, /* 90 degree pulse length on C13 */ pwrCO_90, /*fine power */ CO_bw, /* 180 degree pulse at CO (174ppm) */ pwCO_180, /* 180 degree pulse length at rf2 */ pwrCO_180, /* fine power */ /* 90 degree pulse at CA (57.7ppm) */ pwCA, /* 90 degree pulse on CA */ pwrCA, /* fine power */ CA_bw, CA_ofs, /* Offset */ /* 180 degree pulse at CA (57.7ppm) */ pwCA2, /* 180 degree pulse on CA */ pwrCA2, /* fine power */ /* 90 degree pulse at CAB (44.2ppm) */ pwCAB, /* 90 degree pulse on CAB */ pwrCAB, /* fine power */ CAB_bw, CAB_ofs, /* Offset */ /* 180 degree pulse at CAB (44.2ppm) */ pwCAB2, /* 180 degree pulse on CA */ pwrCAB2, /* fine power */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"), gt2 = getval("gt2"), gzlvl2 = getval("gzlvl2"), gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"), gstab = getval("gstab"); getstr("IPAP",IPAP); /* LOAD PHASE TABLE */ settable(t1,4,phi1); settable(t2,1,phi2); settable(t3,2,phi3); settable(t4,8,phi4); settable(t5,16,phi5); settable(t12,16,rec); getelem(t5,ct,v5); assign(two,v6); if (IPAP[0] == 'y') { add(v5,one,v5); assign(three,v6); } setautocal(); /* activate auto-calibration */ /* INITIALIZE VARIABLES */ /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ if (phase1 == 2) tsadd(t1,1,4); if (phase2 == 2) tsadd(t2,1,4); tau1 = d2; tau1 = tau1/2.0; tau2 = d3; 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(t12,2,4); } if( ix == 1) d3_init = d3; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t2,2,4); tsadd(t12,2,4); } if (autocal[0] == 'y') { if (FIRST_FID) { ppm = getval("sfrq"); ofs_check(C13ofs); CO_bw=80*ppm; CA_bw=100*ppm; CAB_bw=100*ppm; CA_ofs=(57.7-C13ofs)*ppm; CAB_ofs=(44.2-C13ofs)*ppm; CO_90 = pbox_make("CO_90", "Q5", CO_bw, 0.0, pwC*compC, pwClvl); CO_180 = pbox_make("CO_180", "square180r", CO_bw, 0.0, pwC*compC, pwClvl); CA_90 = pbox_make("CA_90", "Q5", CA_bw, CA_ofs, pwC*compC, pwClvl); CA_180 = pbox_make("CA_180", "q3", CA_bw, CA_ofs, pwC*compC, pwClvl); CAB_90 = pbox_make("CAB_90", "Q5", CAB_bw, CAB_ofs, pwC*compC, pwClvl); CAB_180 = pbox_make("CAB_180", "q3", CAB_bw, CAB_ofs, pwC*compC, pwClvl); /* pbox_make creates shapes with coarse power at pwClvl and fine power is adjusted */ } } pwCO_90 = CO_90.pw; pwrCO_90 = CO_90.pwrf; pwCO_180 = CO_180.pw; pwrCO_180 = CO_180.pwrf; pwCA = CA_90.pw; pwrCA = CA_90.pwrf; pwCA2 = CA_180.pw; pwrCA2 = CA_180.pwrf; pwCAB = CAB_90.pw; pwrCAB = CAB_90.pwrf; pwCAB2 = CAB_180.pw; pwrCAB2 = CAB_180.pwrf; /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); obsoffset(tof); rf0 = 4095.0; obspower(pwClvl); obspwrf(rf0); status(B); obspwrf(pwrCA); shapedpulse("CA_90",pwCA,t1,0.0,0.0); delay(tau1); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); obspwrf(pwrCA2); delay(TC/2); shapedpulse("CA_180",pwCA2,zero,0.0,0.0); delay(TC/2 - tau1); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); obspwrf(pwrCA); shapedpulse("CA_90",pwCA,one,0.0,0.0); delay(TC/2+tau2-gstab-gt1); zgradpulse(gzlvl1,gt1); delay(gstab); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); obspwrf(pwrCA2); shapedpulse("CA_180",pwCA2,zero,0.0,0.0); delay(TC/2-tau2-gt1-gstab); zgradpulse(gzlvl1,gt1); delay(gstab); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,0.0); obspwrf(pwrCAB); shapedpulse("CAB_90",pwCAB,t2,0.0,0.0); zgradpulse(gzlvl2,gt2); delay(gstab); obspwrf(pwrCO_90); shapedpulse("CO_90",pwCO_90,t3,0.0,0.0); if (IPAP[0] == 'y') { delay(del/2); obspwrf(pwrCAB2); shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,t4,0.0,0.0); delay(del/2); } else { delay(del/4); obspwrf(pwrCAB2); shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0); delay(del/4); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,t4,0.0,0.0); delay(del/4); obspwrf(pwrCAB2); shapedpulse("CAB_180",pwCAB2,zero,0.0,0.0); delay(del/4); } obspwrf(pwrCO_90); shapedpulse("CO_90",pwCO_90,v5,0.0,0.0); zgradpulse(gzlvl3,gt3); delay(gstab); shapedpulse("CO_90",pwCO_90,v6,0.0,rof2); obspwrf(pwrCO_180); shapedpulse("CO_180",pwCO_180,zero,0.0,rof2); status(C); setreceiver(t12); }
void pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ mag_flg[MAXSTR], /*magic angle gradient*/ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ stCdec[MAXSTR], /* calls STUD+ waveforms from shapelib */ STUD[MAXSTR]; /* apply automatically calculated STUD decoupling */ int icosel1, /* used to get n and p type */ icosel2, t1_counter, /* used for states tppi in t1 */ t2_counter, /* used for states tppi in t2 */ ni2 = getval("ni2"); double tau1, /* t1 delay */ tau2, /* t2 delay */ del = getval("del"), /* time delays for CH coupling evolution */ BPdpwrspinlock, /* user-defined upper limit for spinlock(Hz) */ BPpwrlimits, /* =0 for no limit, =1 for limit */ del1 = getval("del1"), del2 = getval("del2"), /* STUD+ waveforms automatically calculated by macro "biocal" */ /* and string parameter stCdec calls them from your shapelib. */ stdmf, /* dmf for STUD decoupling */ studlvl, /* coarse power for STUD+ decoupling */ rf80 = getval("rf80"), /* rf in Hz for 80ppm STUD+ */ bw, ofs, ppm, /* temporary Pbox parameters */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ rf0, /* maximum fine power when using pwC pulses */ /* p_d is used to calculate the isotropic mixing on the Cab region */ spinlock = getval("spinlock"), /* DIPSI-3 spinlock field strength in Hz */ p_d, /* 50 degree pulse for DIPSI-2 at rfd */ rfd, /* fine power for 7 kHz rf for 500MHz magnet */ ncyc = getval("ncyc"), /* no. of cycles of DIPSI-3 */ /* the following pulse lengths for SLP pulses are automatically calculated */ /* by the macro "ghcch_tocsy" . SLP pulse shapes, "offC10" etc are called */ /* directly from your shapelib. */ pwC10, /* 180 degree selective sinc pulse on CO(174ppm) */ pwZ, /* the largest of pwC10 and 2.0*pwN */ rf10, /* fine power for the pwC10 ("offC10") pulse */ compC = getval("compC"), /* adjustment for C13 amplifier compression */ pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ sw1 = getval("sw1"), sw2 = getval("sw2"), gt1 = getval("gt1"), /* coherence pathway gradients */ gzcal = getval("gzcal"), /* G/cm to DAC coversion factor*/ gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), gt3 = getval("gt3"), /* other gradients */ gt5 = getval("gt5"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl6 = getval("gzlvl6"); getstr("STUD",STUD); getstr("mag_flg",mag_flg); getstr("f1180",f1180); getstr("f2180",f2180); strcpy(stCdec, "stCdec80"); stdmf = getval("dmf80"); studlvl = pwClvl + 20.0*log10(compC*pwC*4.0*rf80); studlvl = (int) (studlvl + 0.5); P_getreal(GLOBAL,"BPpwrlimits",&BPpwrlimits,1); P_getreal(GLOBAL,"BPdpwrspinlock",&BPdpwrspinlock,1); /* LOAD PHASE TABLE */ settable(t3,2,phi3); settable(t6,1,phi6); settable(t5,4,phi5); settable(t10,1,phi10); settable(t11,4,rec); /* INITIALIZE VARIABLES */ if (BPpwrlimits > 0.5) { if (spinlock > BPdpwrspinlock) { spinlock = BPdpwrspinlock; printf("spinlock too large, reset to user-defined limit (BPdpwrspinlock)"); psg_abort(1); } } if( dpwrf < 4095 ) { printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse"); psg_abort(1); } /* maximum fine power for pwC pulses */ rf0 = 4095.0; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* "offC10": 180 degree one-lobe sinc pulse on CO, null at Ca 139ppm away */ pwC10 = getval("pwC10"); rf10 = (compC*4095.0*pwC*2.0*1.65)/pwC10; /* needs 1.65 times more */ rf10 = (int) (rf10 + 0.5); /* power than a square pulse */ if( pwC > (24.0e-6*600.0/sfrq) ) { printf("Increase pwClvl so that pwC < 24*600/sfrq"); psg_abort(1); } } else /* if autocal = 'y'(yes), 'q'(quiet), r(read), or 's'(semi) */ { if(FIRST_FID) /* call Pbox */ { ppm = getval("dfrq"); bw = 118.0*ppm; ofs = 139.0*ppm; offC10 = pbox_make("offC10", "sinc180n", bw, ofs, compC*pwC, pwClvl); if(dm3[B] == 'y') H2ofs = 3.2; ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } rf10 = offC10.pwrf; pwC10 = offC10.pw; } /* dipsi-3 decoupling on CbCa */ p_d = (5.0)/(9.0*4.0*spinlock); /* DIPSI-3 Field Strength */ rfd = (compC*4095.0*pwC*5.0)/(p_d*9.0); rfd = (int) (rfd + 0.5); ncyc = (int) (ncyc + 0.5); /* CHECK VALIDITY OF PARAMETER RANGES */ if( gt1 > 0.5*del - 1.0e-4) { printf(" gt1 is too big. Make gt1 less than %f.\n", (0.5*del - 1.0e-4)); psg_abort(1); } if( dm[A] == 'y' ) { printf("incorrect dec1 decoupler flag! Should be 'nny' or 'nnn' "); psg_abort(1); } if((dm2[A] == 'y' || dm2[C] == 'y')) { printf("incorrect dec2 decoupler flags! Should be 'nnn' "); psg_abort(1); } if((dm3[A] == 'y' || dm3[C] == 'y')) { printf("incorrect dec3 decoupler flags! Should be 'nnn' or 'nyn' "); psg_abort(1); } if( dpwr > 52 ) { printf("don't fry the probe, DPWR too large! "); psg_abort(1); } if( pw > 50.0e-6 ) { printf("dont fry the probe, pw too high ! "); psg_abort(1); } if( pwN > 100.0e-6 ) { printf("dont fry the probe, pwN too high ! "); psg_abort(1); } /* PHASES AND INCREMENTED TIMES */ /* Phase incrementation for hypercomplex 2D data, States-Haberkorn element */ icosel1 = -1; icosel2 = -1; if (phase1 == 2) { tsadd(t6,2,4); icosel1 = -1*icosel1; } if (phase2 == 2) { tsadd(t10,2,4); icosel2 = -1*icosel2; tsadd(t6,2,4); } /* Set up f1180 */ tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } tau1 = tau1/2.0; /* Set up f2180 */ tau2 = d3; if((f2180[A] == 'y') && (ni2 > 1.0)) { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(t3,2,4); tsadd(t11,2,4); } if( ix == 1) d3_init = d3; t2_counter = (int) ( (d3-d3_init)*sw2 + 0.5 ); if(t2_counter % 2) { tsadd(t5,2,4); tsadd(t11,2,4); } /* BEGIN PULSE SEQUENCE */ status(A); if ( dm3[B] == 'y' ) lk_sample(); if ((ni/sw1-d2)>0) delay(ni/sw1-d2); /*decreases as t1 increases for const.heating*/ if ((ni2/sw2-d3)>0) delay(ni2/sw2-d3); /*decreases as t2 increases for const.heating*/ delay(d1); if ( dm3[B] == 'y' ) { lk_hold(); lk_sampling_off();} /*freezes z0 correction, stops lock pulsing*/ rcvroff(); obspower(tpwr); decpower(pwClvl); dec2power(pwNlvl); decpwrf(rf0); obsoffset(tof); txphase(t3); delay(1.0e-5); decrgpulse(pwC, zero, 0.0, 0.0); /*destroy C13 magnetization*/ zgradpulse(gzlvl1, 0.5e-3); delay(1.0e-4); decrgpulse(pwC, one, 0.0, 0.0); zgradpulse(0.7*gzlvl1, 0.5e-3); delay(5.0e-4); if ( dm3[B] == 'y' ) /* begins optional 2H decoupling */ { dec3rgpulse(1/dmf3,one,10.0e-6,2.0e-6); dec3unblank(); dec3phase(zero); delay(2.0e-6); setstatus(DEC3ch, TRUE, 'w', FALSE, dmf3); } rgpulse(pw, t3, 0.0, 0.0); /* 1H pulse excitation */ decphase(zero); delay(0.5*del + tau1 - 2.0*pwC); decrgpulse(2.0*pwC, zero, 0.0, 0.0); txphase(zero); delay(tau1); rgpulse(2.0*pw, zero, 0.0, 0.0); if (mag_flg[A] == 'y') { magradpulse(icosel1*gzcal*gzlvl1,0.1*gt1); } else { zgradpulse(icosel1*gzlvl1, 0.1*gt1); } decphase(t5); delay(0.5*del - 0.1*gt1); simpulse(pw, pwC, zero, t5, 0.0, 0.0); zgradpulse(gzlvl3, gt3); decphase(zero); delay(0.5*del2 - gt3); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl3, gt3); txphase(t6); decphase(one); delay(0.5*del2 - gt3); simpulse(pw, pwC, t6, one, 0.0, 0.0); zgradpulse(gzlvl4, gt3); txphase(zero); decphase(zero); delay(0.5*del1 - gt3); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl4, gt3); delay(0.5*del1 - gt3); decrgpulse(pwC, zero, 0.0, 0.0); decpwrf(rfd); delay(2.0e-6); initval(ncyc, v2); starthardloop(v2); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.9*p_d,two,0.0,0.0); decrgpulse(5.0*p_d,zero,0.0,0.0); decrgpulse(5.5*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.6*p_d,two,0.0,0.0); decrgpulse(7.2*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.4*p_d,zero,0.0,0.0); decrgpulse(6.8*p_d,two,0.0,0.0); decrgpulse(7.0*p_d,zero,0.0,0.0); decrgpulse(5.2*p_d,two,0.0,0.0); decrgpulse(5.4*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.5*p_d,zero,0.0,0.0); decrgpulse(7.3*p_d,two,0.0,0.0); decrgpulse(5.1*p_d,zero,0.0,0.0); decrgpulse(7.9*p_d,two,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.9*p_d,zero,0.0,0.0); decrgpulse(5.0*p_d,two,0.0,0.0); decrgpulse(5.5*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.6*p_d,zero,0.0,0.0); decrgpulse(7.2*p_d,two,0.0,0.0); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.4*p_d,two,0.0,0.0); decrgpulse(6.8*p_d,zero,0.0,0.0); decrgpulse(7.0*p_d,two,0.0,0.0); decrgpulse(5.2*p_d,zero,0.0,0.0); decrgpulse(5.4*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.5*p_d,two,0.0,0.0); decrgpulse(7.3*p_d,zero,0.0,0.0); decrgpulse(5.1*p_d,two,0.0,0.0); decrgpulse(7.9*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.9*p_d,zero,0.0,0.0); decrgpulse(5.0*p_d,two,0.0,0.0); decrgpulse(5.5*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.6*p_d,zero,0.0,0.0); decrgpulse(7.2*p_d,two,0.0,0.0); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.4*p_d,two,0.0,0.0); decrgpulse(6.8*p_d,zero,0.0,0.0); decrgpulse(7.0*p_d,two,0.0,0.0); decrgpulse(5.2*p_d,zero,0.0,0.0); decrgpulse(5.4*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.5*p_d,two,0.0,0.0); decrgpulse(7.3*p_d,zero,0.0,0.0); decrgpulse(5.1*p_d,two,0.0,0.0); decrgpulse(7.9*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,zero,0.0,0.0); decrgpulse(7.9*p_d,two,0.0,0.0); decrgpulse(5.0*p_d,zero,0.0,0.0); decrgpulse(5.5*p_d,two,0.0,0.0); decrgpulse(0.6*p_d,zero,0.0,0.0); decrgpulse(4.6*p_d,two,0.0,0.0); decrgpulse(7.2*p_d,zero,0.0,0.0); decrgpulse(4.9*p_d,two,0.0,0.0); decrgpulse(7.4*p_d,zero,0.0,0.0); decrgpulse(6.8*p_d,two,0.0,0.0); decrgpulse(7.0*p_d,zero,0.0,0.0); decrgpulse(5.2*p_d,two,0.0,0.0); decrgpulse(5.4*p_d,zero,0.0,0.0); decrgpulse(0.6*p_d,two,0.0,0.0); decrgpulse(4.5*p_d,zero,0.0,0.0); decrgpulse(7.3*p_d,two,0.0,0.0); decrgpulse(5.1*p_d,zero,0.0,0.0); decrgpulse(7.9*p_d,two,0.0,0.0); endhardloop(); dec2phase(zero); decphase(zero); txphase(zero); decpwrf(rf10); delay(tau2); /* WFG3_START_DELAY */ sim3shaped_pulse("", "offC10", "", 2.0*pw, pwC10, 2.0*pwN, zero, zero, zero, 0.0, 0.0); if(pwC10>2.0*pwN) pwZ=0.0; else pwZ=2.0*pwN - pwC10; delay(tau2); decpwrf(rf0); if (mag_flg[A] == 'y') { magradpulse(-icosel2*gzcal*gzlvl2, 1.8*gt1); } else { zgradpulse(-icosel2*gzlvl2, 1.8*gt1); } delay(2.02e-4); decrgpulse(2.0*pwC, zero, 0.0, 0.0); decpwrf(rf10); if (mag_flg[A] == 'y') { magradpulse(icosel2*gzcal*gzlvl2, 1.8*gt1); } else { zgradpulse(icosel2*gzlvl2, 1.8*gt1); } delay(2.0e-4 + WFG3_START_DELAY + pwZ); decshaped_pulse("offC10", pwC10, zero, 0.0, 0.0); decpwrf(rf0); decrgpulse(pwC, zero, 2.0e-6, 0.0); zgradpulse(gzlvl5, gt5); delay(0.5*del1 - gt5); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl5, gt5); txphase(one); decphase(t10); delay(0.5*del1 - gt5); simpulse(pw, pwC, one, t10, 0.0, 0.0); zgradpulse(gzlvl6, gt5); txphase(zero); decphase(zero); delay(0.5*del2 - gt5); simpulse(2.0*pw, 2.0*pwC, zero, zero, 0.0, 0.0); zgradpulse(gzlvl6, gt5); delay(0.5*del2 - gt5); simpulse(pw, pwC, zero, zero, 0.0, 0.0); delay(0.5*del - 0.5*pwC); simpulse(2.0*pw,2.0*pwC, zero, zero, 0.0, 0.0); if (mag_flg[A] == 'y') magradpulse(gzcal*gzlvl1, gt1); else zgradpulse(gzlvl1, gt1); rcvron(); if ((STUD[A]=='n') && (dm[C] == 'y')) decpower(dpwr); if ( dm3[B] == 'y' ) /* turns off 2H decoupling */ { delay(0.5*del-40.0e-6 -gt1 -1/dmf3); setstatus(DEC3ch, FALSE, 'c', FALSE, dmf3); dec3rgpulse(1/dmf3,three,2.0e-6,2.0e-6); dec3blank(); lk_autotrig(); /* resumes lock pulsing */ lk_sample(); if (mag_flg[A] == 'y') statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY); else statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY); } else { delay(0.5*del-40.0e-6 -gt1); if (mag_flg[A] == 'y') statusdelay(C,40.0e-6 - 2.0*VAGRADIENT_DELAY - POWER_DELAY); else statusdelay(C,40.0e-6 - 2.0*GRADIENT_DELAY - POWER_DELAY); } if ((STUD[A]=='y') && (dm[C] == 'y')) {decpower(studlvl); decunblank(); decon(); decprgon(stCdec,1/stdmf, 1.0); startacq(alfa); acquire(np, 1.0/sw); decprgoff(); decoff(); decblank(); } setreceiver(t11); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES; parameters used in the last half of the */ /* sequence are declared and initialized as 0.0 in bionmr.h, and */ /* reinitialized below */ char sel_flg[MAXSTR], autocal[MAXSTR], glyshp[MAXSTR]; int t1_counter, /* used for states tppi in t1 */ ni = getval("ni"); double d2_init=0.0, /* used for states tppi in t1 */ tau1, tau2, tau3, glypwr,glypwrf, /* Power levels for Cgly selective 90 */ pwgly, /* Pulse width for Cgly selective 90 */ bw,ppm, /* Used for autocal Cgly selective 90*/ tauCC = getval("tauCC"), /* delay for Ca to Cb cosy */ timeTN = getval("timeTN"), /* constant time for 15N evolution */ waltzB1 = getval("waltzB1"), pwC = getval("pwC"), /* C13 pulse at pwClvl */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ compC = getval("compC"), /* correction for amplifier compression*/ pwCa180, pwCO180, pwCab90, pwCab180, pwS1, /* length of square 90 on Cab */ phshift = getval("phshift"), /* phase shift on Cab by 180 on CO in t1 */ pwS2, /* length of 180 on CO */ pwS3, pwS = getval("pwS"), /*used to change 180 on CO in t1 for 1D calibration */ pwZ, /* the largest of pwS2 and 2.0*pwN */ pwZ1, /* the largest of pwS2 and 2.0*pwN for 1D experiments */ pwNlvl = getval("pwNlvl"), /* power for N15 pulses */ pwN = getval("pwN"), /* N15 90 degree pulse length at pwNlvl */ sw1 = getval("sw1"), swCb = getval("swCb"), swCa = getval("swCa"), swN = getval("swN"), swTilt, /* This is the sweep width of the tilt vector */ cos_N, cos_Ca, cos_Cb, angle_N, angle_Ca, angle_Cb, /* angle_N is calculated automatically */ gstab = getval("gstab"), 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"); angle_N=0.0; /* Load variables */ glypwrf = getval("glypwrf"); glypwr = getval("glypwr"); pwgly = getval("pwgly"); tau1 = 0; tau2 = 0; tau3 = 0; cos_N = 0; cos_Ca = 0; cos_Cb = 0; getstr("autocal", autocal); getstr("glyshp", glyshp); getstr("sel_flg",sel_flg); /* LOAD PHASE TABLE */ settable(t2,1,phy); settable(t3,2,phi3); settable(t5,4,phi5); settable(t6,8,phi6); settable(t8,1,phy); settable(t9,1,phx); settable(t10,1,phx); settable(t11,1,phx); settable(t12,8,recT); /* INITIALIZE VARIABLES */ lambda = 2.4e-3; pwCa180=c13pulsepw("ca", "co", "square", 180.0); pwCO180=c13pulsepw("co", "ca", "sinc", 180.0); pwCab90=c13pulsepw("cab","co","square",90.0); pwCab180=c13pulsepw("cab","co","square",180.0); pwHs = 1.7e-3*500.0/sfrq; /* length of H2O flipback, 1.7ms at 500 MHz*/ widthHd = 2.861*(waltzB1/sfrq); /* bw of H1 WALTZ16 decoupling */ pwHd = h1dec90pw("WALTZ16", widthHd, 0.0); /* H1 90 length for WALTZ16 */ /* get calculated pulse lengths of shaped C13 pulses */ pwS1 = c13pulsepw("cab", "co", "square", 90.0); pwS2 = c13pulsepw("co", "cab", "sinc", 180.0); pwS3 = c13pulsepw("cab", "co", "square", 180.0); /* the 180 pulse on CO at the middle of t1 */ if (pwS2 > 2.0*pwN) pwZ = pwS2; else pwZ = 2.0*pwN; if ((pwS==0.0) && (pwS2>2.0*pwN)) pwZ1=pwS2-2.0*pwN; else pwZ1=0.0; if ( ni > 1 ) pwS = 180.0; if ( pwS > 0 ) phshift = 140.0; else phshift = 0.0; /* CHECK VALIDITY OF PARAMETER RANGES */ 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' || dm3[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 '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);} /* PHASES AND INCREMENTED TIMES */ /* Set up angles and phases */ angle_Cb=getval("angle_Cb"); cos_Cb=cos(PI*angle_Cb/180.0); angle_Ca=getval("angle_Ca"); cos_Ca=cos(PI*angle_Ca/180.0); if ( (angle_Cb < 0) || (angle_Cb > 90) ) { printf ("angle_Cb 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_Cb*cos_Cb + cos_Ca*cos_Ca) ) { printf ("Impossible angles.\n"); psg_abort(1); } else { cos_N=sqrt(1.0- (cos_Cb*cos_Cb + cos_Ca*cos_Ca)); angle_N = 180.0*acos(cos_N)/PI; } swTilt=swCb*cos_Cb + swCa*cos_Ca + swN*cos_N; if (ix ==1) { if ( 0.5*ni*(cos_N/swTilt) > timeTN - WFG3_START_DELAY) { printf(" ni is too big. Make ni equal to %d or less.\n", ((int)((timeTN - WFG3_START_DELAY)*2.0*swTilt/cos_N))); psg_abort(1);} if ( (0.5*ni*cos_Ca/swTilt) > (tauCC - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY - 2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6)) { printf (" ni is too big. Make ni equal to %d or less. \n", (int) ((tauCC - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY -2.0*POWER_DELAY - WFG2_STOP_DELAY -14.0e-6)/(0.5*cos_Ca/swTilt))); psg_abort(1); } printf("\n\nn\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n"); printf ("Maximum Sweep Width: \t\t %f Hz\n", swTilt); printf ("Angle_Cb:\t%6.2f\n", angle_Cb); printf ("Angle_Ca:\t%6.2f\n", angle_Ca); printf ("Angle_N :\t%6.2f\n", angle_N ); } /* Set up hyper complex */ /* sw1 is used as symbolic index */ if ( sw1 < 1000 ) { printf ("Please set sw1 to some value larger than 1000.\n"); psg_abort(1); } if (ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if (t1_counter % 2) { tsadd(t8,2,4); tsadd(t12,2,4); } if (phase1 == 1) { ;} /* CC */ else if (phase1 == 2) { tsadd(t3,3,4); tsadd(t2,3,4);} /* SC */ else if (phase1 == 3) { tsadd(t5,1,4); } /* CS */ else if (phase1 == 4) { tsadd(t3,3,4); tsadd(t2,3,4); tsadd(t5,1,4); } /* SS */ else { printf ("phase1 can only be 1,2,3,4. \n"); psg_abort(1); } if (phase2 == 2) { tsadd(t10,2,4); icosel = +1; } /* N */ else icosel = -1; tau1 = 1.0*t1_counter*cos_Cb/swTilt; tau2 = 1.0*t1_counter*cos_Ca/swTilt; tau3 = 1.0*t1_counter*cos_N/swTilt; tau1 = tau1/2.0; tau2 = tau2/2.0; tau3 = tau3/2.0; /* BEGIN PULSE SEQUENCE */ status(A); delay(d1); if (dm3[B] == 'y') lk_hold(); rcvroff(); obsoffset(tof); obspower(tpwr); obspwrf(4095.0); set_c13offset("cab"); decpower(pwClvl); decpwrf(4095.0); dec2power(pwNlvl); txphase(one); delay(1.0e-5); shiftedpulse("sinc", pwHs, 90.0, 0.0, one, 2.0e-6, 0.0); txphase(zero); decphase(zero); dec2phase(zero); delay(2.0e-6); /* xxxxxxxxxxxxxxxxxxxxxx HN to N to Ca TRANSFER xxxxxxxxxxxxxxxxxx */ rgpulse(pw, zero, 0.0, 0.0); /* 1H pulse excitation */ dec2phase(zero); zgradpulse(gzlvl3, gt3); /* G3 */ delay(lambda - gt3); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); if (sel_flg[A] == 'n') txphase(three); else txphase(one); zgradpulse(gzlvl3, gt3); /* G3 */ delay(lambda - gt3); if (sel_flg[A] == 'n') { rgpulse(pw, three, 0.0, 0.0); zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */ delay(gstab); /* Begin of N to Ca transfer */ dec2rgpulse(pwN, zero, 0.0, 0.0); delay(timeTN - WFG3_START_DELAY); } else /* active suppresion */ { rgpulse(pw,one,2.0e-6,0.0); initval(1.0,v6); dec2stepsize(45.0); dcplr2phase(v6); zgradpulse(gzlvl4, gt4); /* Crush gradient G4 */ delay(gstab); /* Begin of N to Ca transfer */ dec2rgpulse(pwN,zero,0.0,0.0); dcplr2phase(zero); /* SAPS_DELAY */ 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(timeTN -1.34e-3 - 2.0*pw - WFG3_START_DELAY); } sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 2.0e-6); dec2phase(one); delay(timeTN); dec2rgpulse(pwN, one, 0.0, 0.0); /* xxxxxxxxxxxxxxxxxxxxxxxx END of N to CA TRANSFER xxxxxxxxxxxxxxxxxxxx */ setautocal(); set_c13offset("gly"); if (autocal[A] == 'n') { decpower(glypwr); decpwrf(4095.0); decphase(zero); decshaped_pulse(glyshp,pwgly,zero,2.0e-6,0.0); } else { if(FIRST_FID) { ppm = getval("dfrq"); bw=9*ppm; gly90 = pbox_make("gly90","eburp1",bw,0.0,compC*pwC,pwClvl); /* Gly selective 90 with null at 50ppm */ } pwgly=gly90.pw; glypwr=gly90.pwr; glypwrf=gly90.pwrf; decpwrf(glypwrf); decpower(glypwr); decshaped_pulse("gly90",pwgly,zero,2.0e-6,0.0); } zgradpulse(gzlvl5, gt5); /* Crush gradient G5 */ set_c13offset("cab"); decphase(t3); 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); } /* xxxxxxxxxxxxxxxxxxxxxx 13CA to 13CB TRANSFER xxxxxxxxxxxxxxxxxx */ c13pulse("cab", "co", "square", 90.0, t3, 2.0e-6, 0.0); decphase(zero); delay(tauCC); c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0); decphase(t2); delay(tauCC - POWER_DELAY - PWRF_DELAY - PRG_START_DELAY); /* xxxxxxxxxxxxxxxxxxxxxx 13CB EVOLUTION xxxxxxxxxxxxxxxxxx */ c13pulse("cab", "co", "square", 90.0, t2, 2.0e-6, 0.0); /* pwS1 */ decphase(zero); if ((ni>1.0) && (tau1>0.0)) { if (tau1 - 2.0*pwCab90/PI - WFG_START_DELAY - pwN - 2.0e-6 - PWRF_DELAY - POWER_DELAY > 0.0) { delay(tau1 - 2.0*pwCab90/PI - pwN - 2.0e-6 ); dec2rgpulse(2.0*pwN, zero, 2.0e-6, 0.0); delay(tau1 - 2.0*pwS1/PI - pwN - WFG_START_DELAY - 2.0e-6 - PWRF_DELAY - POWER_DELAY); } else { tsadd(t12,2,4); delay(2.0*tau1); delay(10.0e-6); /* WFG_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); delay(10.0e-6); } } else { tsadd(t12,2,4); delay(10.0e-6); /* WFG_START_DELAY */ sim3_c13pulse("", "cab", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); delay(10.0e-6); } decphase(t6); c13pulse("cab", "co", "square", 90.0, t6, 2.0e-6, 0.0); /* pwS1 */ /* xxxxxxxxxxxx 13CB to 13CA BACK TRANSFER - CA EVOLUTION xxxxxxxxxxxxxx */ decphase(zero); delay(tau2); sim3_c13pulse("", "co", "ca", "sinc", "", 0.0, 180.0, 2.0*pwN, zero, zero, zero, 2.0e-6, 0.0); decphase(zero); delay(tauCC- 2*pwN - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY - 2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 ); c13pulse("cab", "co", "square", 180.0, zero, 2.0e-6, 0.0); delay(tauCC - tau2 - pwCO180 - pwCab180/2 - WFG2_START_DELAY - 2.0*PWRF_DELAY -2.0*POWER_DELAY - WFG2_STOP_DELAY - 4.0e-6 ); c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); decphase(t5); c13pulse("cab", "co", "square", 90.0, t5, 2.0e-6, 0.0); /* pwS1 */ /* xxxxxxxxxxx END of 13CB to 13CA BACK TRANSFER - CA EVOLUTION xxxxxxxxxxxx */ if (dm3[B] == 'y') /*optional 2H decoupling off */ { dec3rgpulse(1/dmf3, three, 0.0, 0.0); dec3blank(); setstatus(DEC3ch, FALSE, 'w', FALSE, dmf3); dec3blank(); } dec2phase(t8); zgradpulse(gzlvl6, gt6); /* Crush gradient G6 */ delay(gstab); /* xxxxxxxxxxxxxxxx 13CA to 15N BACK TRANSFER - 15N EVOLUTION xxxxxxxxxxxxxx */ dec2rgpulse(pwN, t8, 2.0e-6, 2.0e-6); decphase(zero); dec2phase(t9); delay(timeTN - WFG3_START_DELAY - tau3); /* WFG3_START_DELAY */ sim3_c13pulse("", "ca", "co", "square", "", 0.0, 180.0, 2.0*pwN, zero, zero, t9, 2.0e-6, 2.0e-6); dec2phase(t10); delay (timeTN - pwCO180 - WFG_START_DELAY - 2.0*POWER_DELAY - 2.0*PWRF_DELAY - 2.0e-6 - gt1 - 2.0*GRADIENT_DELAY - gstab); zgradpulse(gzlvl1, gt1); /* 2.0*GRADIENT_DELAY */ delay(gstab - POWER_DELAY - PWRF_DELAY); c13pulse("co", "ca", "sinc", 180.0, zero, 2.0e-6, 0.0); /*pwCO180*/ delay(tau3); sim3pulse(pw, 0.0, pwN, zero, zero, t10, 0.0, 0.0); /* t4??*/ zgradpulse(gzlvl7, gt7); /* G7 */ txphase(zero); dec2phase(zero); delay (lambda - 1.3*pwN - gt7); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl7, gt7); /* G7 */ txphase(one); dec2phase(one); delay (lambda - 1.3*pwN - gt7); sim3pulse(pw, 0.0, pwN, one, zero, one, 0.0, 0.0); zgradpulse(gzlvl8, gt8); /* G8 */ txphase(zero); dec2phase(zero); delay (lambda - 1.3*pwN - gt8); sim3pulse(2.0*pw, 0.0, 2.0*pwN, zero, zero, zero, 0.0, 0.0); zgradpulse(gzlvl8, gt8); /* G8 */ delay (lambda - 1.3*pwN - gt8); sim3pulse(pw, 0.0, pwN, zero, zero, zero, 0.0, 0.0); dec2power(dpwr2); decpower(dpwr); delay ( (gt1/10.0) + 1.0e-4 + 2.0*GRADIENT_DELAY + POWER_DELAY); rgpulse(2.0*pw, zero, 0.0, 0.0); zgradpulse(icosel*gzlvl2, gt1/10.0); /* 2.0*GRADIENT_DELAY */ statusdelay(C, 1.0e-4); setreceiver(t12); if (dm3[B] == 'y') lk_sample(); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ mag_flg[MAXSTR], /*magic-angle coherence transfer gradients */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ 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 */ PRexp, /* projection-reconstruction flag */ 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 */ csa, sna, pra = M_PI*getval("pra")/180.0, /* temporary Pbox parameters */ bw, pws, ofs, ppm, nst, /* bandwidth, pulsewidth, offset, ppm, # steps */ /* the sech/tanh pulse is automatically calculated by the macro "biocal", */ /* 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 */ dof100, /* C13 frequency at 100ppm for both aliphatic & aromatic*/ tpwrsf = getval("tpwrsf"), /* fine power adjustment for flipback pulse*/ 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"), gstab = getval("gstab"), gzlvl0 = getval("gzlvl0"), gzlvl3 = getval("gzlvl3"), gzlvl6 = getval("gzlvl6"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"); getstr("f1180",f1180); getstr("mag_flg",mag_flg); getstr("f2180",f2180); getstr("C13refoc",C13refoc); getstr("NH2only",NH2only); csa = cos(pra); sna = sin(pra); /* 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; setautocal(); /* activate auto-calibration flags */ if (autocal[0] == 'n') { /* 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); } } } 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); } ofs_check(H1ofs, C13ofs, N15ofs, H2ofs); } if (C13refoc[A]=='y') rfst = stC200.pwrf; } /* 180 degree adiabatic C13 pulse from 0 to 200 ppm */ dof100 = dof + 65.0*dfrq; /* 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.\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 */ PRexp = 0; if((pra > 0.0) && (pra < 90.0)) PRexp = 1; if(PRexp) /* set up Projection-Reconstruction experiment */ tau1 = d2*csa; else tau1 = d2; if((f1180[A] == 'y') && (ni > 1.0)) { tau1 += ( 1.0 / (2.0*sw1) ); if(tau1 < 0.2e-6) tau1 = 0.0; } tau1 = tau1/2.0; /* Set up f2180 */ if(PRexp) tau2 = d2*sna; else { tau2 = d3; if((f2180[A] == 'y') && (ni2 > 1.0)) { tau2 += ( 1.0 / (2.0*sw2) ); if(tau2 < 0.2e-6) tau2 = 0.0; } } tau2 = tau2/2.0; /* Calculate modifications to phases for States-TPPI acquisition */ if( ix == 1) d2_init = d2; t1_counter = (int) ( (d2-d2_init)*sw1 + 0.5 ); if(t1_counter % 2) { tsadd(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); } /* BEGIN PULSE SEQUENCE */ status(A); obspower(tpwr); decpower(pwClvl); dec2power(pwNlvl); decoffset(dof); 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 (tau1 > (2.0*GRADIENT_DELAY + pwN + 0.64*pw + 5.0*SAPS_DELAY)) { if (tau1>0.002) { zgradpulse(gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw)); delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY); } else { delay(tau1-pwN-0.64*pw); } if (C13refoc[A]=='y') sim3pulse(0.0, 2.0*pwC, 2.0*pwN, zero, zero, zero, 0.0, 0.0); else dec2rgpulse(2.0*pwN, zero, 0.0, 0.0); if (tau1>0.002) { zgradpulse(-1.0*gzlvl6, 0.8*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw)); delay(0.2*(tau1 - 2.0*GRADIENT_DELAY - pwN - 0.64*pw) - SAPS_DELAY); } else { delay(tau1-pwN-0.64*pw); } } else if (tau1 > (0.64*pw + 0.5*SAPS_DELAY)) delay(2.0*tau1 - 2.0*0.64*pw - SAPS_DELAY ); rgpulse(pw, zero, 0.0, 0.0); delay(mix - gt4 - gt5 -gstab -200.0e-6); dec2rgpulse(pwN, zero, 0.0, 0.0); zgradpulse(gzlvl4, gt4); delay(gstab); rgpulse(pw, zero, 200.0e-6,0.0); /* HSQC begins */ dec2phase(zero); zgradpulse(gzlvl0, gt0); delay(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); if (tpwrsf<4095.0) { obspower(tpwrs+6.0); obspwrf(tpwrsf); shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0); obspower(tpwr); obspwrf(4095.0); } else { obspower(tpwrs); shaped_pulse("H2Osinc", pwHs, two, 5.0e-4, 0.0); obspower(tpwr); } zgradpulse(gzlvl3, gt3); dec2phase(t3); decpwrf(rfst); decoffset(dof100); 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+ 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); } delay(gstab); rcvron(); statusdelay(C,1.0e-4-rof1); setreceiver(t11); }
pulsesequence() { /* DECLARE AND LOAD VARIABLES */ char f1180[MAXSTR], /* Flag to start t1 @ halfdwell */ f2180[MAXSTR], /* Flag to start t2 @ halfdwell */ mag_flg[MAXSTR], /* Flag to use magic-angle gradients */ H2O_flg[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 */ tau2, /* t2 delay */ delta1, delta2, TC = getval("TC"), /* 3.5 ms */ 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 */ bw, ofs, ppm, /* temporary Pbox parameters */ pwClvl = getval("pwClvl"), /* coarse power for C13 pulse */ pwC = getval("pwC"), /* C13 90 degree pulse length at pwClvl */ /* the following pulse length for the SLP pulse is automatically calculated */ /* by the macro "hcch_cosy". The SLP pulse shape,"offC10" is called */ /* directly from your shapelib. */ 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 */ pwmax, 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"), gt2 = getval("gt2"), gt3 = getval("gt3"), gt4 = getval("gt4"), gt5 = getval("gt5"), gt7 = getval("gt7"), gt8 = getval("gt8"), gt9 = getval("gt9"), gzcal = getval("gzcal"), gzlvl1 = getval("gzlvl1"), gzlvl2 = getval("gzlvl2"), gzlvl3 = getval("gzlvl3"), gzlvl4 = getval("gzlvl4"), gzlvl5 = getval("gzlvl5"), gzlvl7 = getval("gzlvl7"), gzlvl8 = getval("gzlvl8"), gzlvl9 = getval("gzlvl9"); getstr("f1180", f1180); getstr("f2180", f2180); getstr("H2O_flg", H2O_flg); 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); /* INITIALIZE VARIABLES */ if (dpwrf < 4095) { printf("reset dpwrf=4095 and recalibrate C13 90 degree pulse"); psg_abort(1); } 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"); 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 (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); } rf7 = offC10.pwrf; pwC10 = offC10.pw; } if ((dm3[A] == 'y' || dm3[C] == 'y')) { printf("incorrect dec1 decoupler flags! Should be 'nyn' or 'nnn' "); psg_abort(1); } getstr("f1180", f1180); getstr("f2180", f2180); getstr("mag_flg", mag_flg); getstr("H2O_flg", H2O_flg); pwmax = 2.0 * pwN; if (pwC10 > pwmax) pwmax = pwC10; /* check validity of parameter range */ if ((dm[A] == 'y' || dm[B] == 'y')) { printf("incorrect Dec1 decoupler flags! "); psg_abort(1); } if ((dm2[A] == 'y' || dm2[B] == 'y' || dm2[C] == 'y')) { printf("incorrect Dec2 decoupler flags! Should be nnn "); psg_abort(1); } if (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, 2, phi1); settable(t2, 4, phi2); settable(t3, 16, phi3); settable(t4, 2, phi4); settable(t11, 8, rec); /* INITIALIZE VARIABLES */ /* Phase incrementation for hypercomplex data */ if (phase1 == 2) /* Hypercomplex in t1 */ { tsadd(t1, 1, 4); } if (phase2 == 2) { tsadd(t2, 1, 4); } /* calculate modification to phases based on current t1 values to achieve States-TPPI acquisition */ if (ix == 1) d2_init = d2; t1_counter = (int) ((d2 - d2_init) * sw1 + 0.5); if (t1_counter % 2) { tsadd(t1, 2, 4); tsadd(t11, 2, 4); } /* calculate modification to phases based on current t2 values to achieve States-TPPI acquisition */ if (ix == 1) d3_init = d3; t2_counter = (int) ((d3 - d3_init) * sw2 + 0.5); if (t2_counter % 2) { tsadd(t2, 2, 4); tsadd(t11, 2, 4); } /* set up so that get (90, -180) phase corrects in F1 if f1180 flag is y */ tau1 = d2; if (f1180[A] == 'y') { tau1 += (1.0 / (2.0 * sw1)); } if (tau1 < 1.0e-6) tau1 = 0.0; tau1 = tau1 / 2.0; /* set up so that get (90, -180) phase corrects in F2 if f2180 flag is y */ tau2 = d3; if (f2180[A] == 'y') { tau2 += (1.0 / (2.0 * sw2)); } if (tau2 < 1.0e-6) tau2 = 0.0; tau2 = tau2 / 2.0; if (ni > 1) delta1 = (double) (t1_counter * (taua - gt2 - 0.2e-3)) / ((double) (ni - 1)); else delta1 = 0.0; if (ni2 > 1) delta2 = (double) (t2_counter * (TC - 0.6e-3)) / ((double) (ni2 - 1)); else delta2 = 0.0; initval(7.0, v1); obsstepsize(45.0); /* BEGIN ACTUAL PULSE SEQUENCE */ status(A); delay(10.0e-6); obspower(tpwr); decpower(pwClvl); decpwrf(4095.0); dec2power(pwNlvl); decphase(zero); dec2phase(zero); xmtrphase(v1); txphase(t1); if (dm3[B] == 'y') lk_sample(); delay(d1); if (dm3[B] == 'y') { lk_hold(); lk_sampling_off(); } /*freezes z0 correction, stops lock pulsing */ rcvroff(); if (gt1 > 0.2e-6) { decrgpulse(pwC, zero, rof1, rof1); delay(2.0e-6); zgradpulse(gzlvl1, gt1); delay(1.0e-3); } 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); } status(B); rgpulse(pw, t1, 1.0e-4, 2.0e-6); xmtrphase(zero); zgradpulse(gzlvl2, gt2); delay(taua - gt2 - 2.0 * pwC - 2.0e-6 - SAPS_DELAY); txphase(zero); delay(tau1); decrgpulse(2.0 * pwC, zero, 0.0, 0.0); delay(tau1 - delta1); rgpulse(2.0 * pw, zero, 0.0, 2.0e-6); zgradpulse(gzlvl2, gt2); txphase(one); delay(taua - delta1 - gt2 - 2.0e-6); rgpulse(pw, one, 0.0, 2.0e-6); if (mag_flg[A] == 'y') { magradpulse(gzcal * gzlvl3, gt3); } else { zgradpulse(gzlvl3, gt3); } decphase(t2); txphase(zero); delay(200.0e-6); decrgpulse(pwC, t2, 2.0e-6, 0.0); decphase(zero); decpwrf(rf7); delay(tau2); sim3shaped_pulse("", "offC10", "", 0.0, pwC10, 2.0 * pwN, zero, zero, zero, 0.0, 0.0); delay(taub - pwmax - WFG_START_DELAY - WFG_STOP_DELAY - POWER_DELAY); rgpulse(2.0 * pw, zero, 0.0, 0.0); decphase(t3); decpwrf(4095.0); delay(TC - taub + tau2 - delta2 - 2.0 * pw - POWER_DELAY); decrgpulse(2.0 * pwC, t3, 0.0, 0.0); decphase(t4); delay(TC - delta2 - POWER_DELAY); decrgpulse(pwC, t4, 0.0, 2.0e-6); zgradpulse(gzlvl4, gt4); txphase(zero); decphase(zero); delay(tauc - gt4); decrgpulse(2.0 * pwC, zero, 0.0, 2.0e-6); if (H2O_flg[A] == 'y') { delay(tauc - gt4 - 500.0e-6 - POWER_DELAY); zgradpulse(gzlvl4, gt4); decphase(one); obspwrf(1000.0); delay(500.0e-6); decrgpulse(pwC, one, 0.0, 1.0e-6); rgpulse(900 * pw, one, rof1, 0.0); txphase(zero); rgpulse(500 * pw, zero, 2.0e-6, 2.0e-6); obspwrf(4095.0); if (mag_flg[A] == 'y') { magradpulse(gzcal * gzlvl5, gt5); } else { zgradpulse(gzlvl5, gt5); } decphase(one); delay(200.0e-6); simpulse(pw, pwC, zero, one, 0.0, 2.0e-6); zgradpulse(gzlvl7, gt7); decphase(zero); delay(taub - gt7); simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 2.0e-6); zgradpulse(gzlvl7, gt7); delay(taub - gt7); } else { delay(tauc - taub - 2.0 * pw - POWER_DELAY); rgpulse(2.0 * pw, zero, 0.0, 2.0e-6); zgradpulse(gzlvl4, gt4); delay(taub - gt4 - 2.0e-6); } decrgpulse(pwC, zero, 0.0, 2.0e-6); if (mag_flg[A] == 'y') { magradpulse(gzcal * gzlvl8, gt8); } else { zgradpulse(gzlvl8, gt8); } txphase(zero); delay(200.0e-6); 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 */ } rgpulse(pw, zero, 0.0, 2.0e-6); if (mag_flg[A] == 'y') { magradpulse(gzcal * gzlvl9, gt9); } else { zgradpulse(gzlvl9, gt9); } delay(taua - gt9); simpulse(2.0 * pw, 2.0 * pwC, zero, zero, 0.0, 2.0e-6); if (mag_flg[A] == 'y') { magradpulse(gzcal * gzlvl9, gt9); } else { zgradpulse(gzlvl9, gt9); } if (STUD[A] == 'y') decpower(studlvl); else decpower(dpwr); dec2power(dpwr2); delay(taua - gt9 - rof1 - 0.5 * pw - 2.0 * POWER_DELAY); rgpulse(pw, zero, rof1, rof2); rcvron(); if (dm3[B] == 'y') lk_sample(); setreceiver(t11); if ((STUD[A] == 'y') && (dm[C] == 'y')) { decunblank(); decon(); decprgon(stCdec,1/stdmf, 1.0); startacq(alfa); acquire(np, 1.0/sw); decprgoff(); decoff(); decblank(); if (dm2[C] == 'y') { setstatus(DEC2ch, TRUE, dmm2[C], FALSE, dmf2); } } else status(C); setreceiver(t11); }