/* Pulse sequence code for pure shift homonuclear 2DJ Spectroscopy using interferogram style PSYCHE with extra ZQS elements Developed By NMR Methodology Group School of Chemistry, University of Manchester United Kingdom Dec 2016 */ #include //phase cycle static int ph1[16] = {0,2,0,2, 0,2,0,2, 0,2,0,2,0,2,0,2}, //v1 excitation 90 ph2[16] = {0,0,1,1, 0,0,1,1, 0,0,1,1,0,0,1,1}, //v2 2dj 180 ph3[16] = {0,2,0,2, 0,2,0,2, 0,2,0,2,0,2,0,2}, //v3 1st 90 of ZQF ph4[16] = {0,2,0,2, 0,2,0,2, 0,2,0,2,0,2,0,2}, //v4 final 90 of ZQF ph5[16] = {0,2,2,0, 2,0,0,2, 2,0,0,2,0,2,2,0}, //PSYCHE oph ph6[16] = {0,2,2,0, 0,2,2,0, 0,2,2,0,0,2,2,0}; //2dj oph static int ph7[16] = {0,0,0,0, 1,1,1,1, 0,0,0,0,1,1,1,1}, //v7 hard 180 ph8[16] = {0,0,0,0, 0,0,0,0, 1,1,1,1,1,1,1,1}; //v8 soft 180 pulsesequence() { double droppts = getval("droppts"), gt1 = getval("gt1"), gzlvl1 = getval("gzlvl1"), gt2 = getval("gt2"), gzlvl2 = getval("gzlvl2"), gt3 = getval("gt3"), gzlvl3 = getval("gzlvl3"), gstab = getval("gstab"), gzlvl7 = getval("gzlvl7"), gstab0 = getval("gstab0"), //final gstab hsglvl = getval("hsglvl"), hsgt = getval("hsgt"), gzlvl4 = getval("gzlvl4"), gt4 = getval("gt4"), zqfpw1 = getval("zqfpw1"), zqfpwr1 = getval("zqfpwr1"), gzlvlzq1 = getval("gzlvlzq1"), gzlvl5 = getval("gzlvl5"), gt5 = getval("gt5"), zqfpw2 = getval("zqfpw2"), zqfpwr2 = getval("zqfpwr2"), gzlvlzq2 = getval("gzlvlzq2"), selpw = getval("selpw"), // pulse length for the PSYCHE pulse selpwr = getval("selpwr"); // power level for the PSYCHE pulse int kpph = (int)(getval("kpph")); //number of steps from the phase cycle to use; set it to zero for normal experiments int phase2 = (int)(getval("phase2")+0.5); char sspul[MAXSTR], lkgate_flg[MAXSTR], pureshift[MAXSTR], Gzqfilt[MAXSTR], zqfpat1[MAXSTR], zqfpat2[MAXSTR], zqfpat3[MAXSTR], gradaxis[MAXSTR], selshape[MAXSTR],selshape2[MAXSTR]; // pulse file for the PSYCHE pulse getstr("sspul",sspul); getstr("lkgate_flg",lkgate_flg); getstr("pureshift",pureshift); getstr("zqfpat1",zqfpat1); getstr("zqfpat2",zqfpat2); getstr("selshape",selshape); getstr("selshape2",selshape2); getstr("gradaxis",gradaxis); getstr("zqfpat3",zqfpat3); getstr("Gzqfilt",Gzqfilt); if (kpph==0) { settable(t1,16,ph1); settable(t2,16,ph2); settable(t3,16,ph3); settable(t4,16,ph4); if ((pureshift[0]=='y') || (pureshift[0]=='p') || (pureshift[0]=='z') ) { settable(t5,16,ph5); } else { settable(t5,16,ph6); } settable(t7,16,ph7); settable(t8,16,ph8); } else { settable(t1,kpph,ph1); settable(t2,kpph,ph2); settable(t3,kpph,ph3); settable(t4,kpph,ph4); if ((pureshift[0]=='y') || (pureshift[0]=='p') || (pureshift[0]=='z') ) { settable(t5,kpph,ph5); } else { settable(t5,kpph,ph6); } settable(t7,kpph,ph7); settable(t8,kpph,ph8); } getelem(t1, ct, v1); getelem(t2, ct, v2); getelem(t3, ct, v3); getelem(t4, ct, v4); getelem(t5, ct, oph); getelem(t7, ct, v7); getelem(t8, ct, v8); if (pureshift[0]=='z') { add(two,oph,oph); } //quadrature in F1 if (phase2 == 2) { add(v3,one,v3); //add(v4,one,v4); //add(oph,one,oph); } //power limits if (pw>50) { printf("pw is too long..\n"); psg_abort(1); } status(A); obspower(tpwr); txphase(zero); obsoffset(tof); delay(0.0001); if (sspul[A] == 'y') { //lock gating if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */ delay(0.001); zgradpulse(hsglvl*0.7,hsgt); rgpulse(pw,zero,rof1,rof1); zgradpulse(hsglvl,hsgt); delay(0.1); } if (lkgate_flg[0] == 'y') lk_sample(); /* turn lock sampling on */ if (sspul[0]=='y') delay(d1-0.1001); else delay(d1-0.0002); if (lkgate_flg[0] == 'y') lk_hold(); /* turn lock sampling off */ delay(0.001); status(B); /******* excitation ************/ rgpulse(pw, v1, rof1, rof1); /******* 2dj evolution ************/ if (gt3>0.0) { zgradpulse(gzlvl3,gt3); delay(gstab); if ((d3/2.0)>(gt3+2.0*GRADIENT_DELAY+gstab)) delay(d3/2.0+ 2.0*pw/PI - gt3 - 2.0*GRADIENT_DELAY - gstab); else delay(d3/2.0); } else { delay(d3/2.0); } if ((pureshift[0]=='y') || (pureshift[0]=='p') || (pureshift[0]=='z') ) { rgpulse(2.0*pw, v2, rof1,rof1); } else { rgpulse(2.0*pw, v2, rof1,2.0*rof1); } if (gt3>0.0) { zgradpulse(gzlvl3,gt3); delay(gstab); if ((d3/2.0)>(gt3+2.0*GRADIENT_DELAY+gstab)) delay(d3/2.0+ 2.0*pw/PI - gt3 - 2.0*GRADIENT_DELAY - gstab); else delay(d3/2.0+ 2.0*pw/PI); } else { delay(d3/2.0 + 2.0*pw/PI); } /******* pure shift evolution ************/ if ((pureshift[0]=='y') || (pureshift[0]=='p') || (pureshift[0]=='z') ) { /******* z-filter ************/ if (Gzqfilt[0]=='y') { rgpulse(pw,v3,rof1,rof1); obspower(zqfpwr1); rgradient(gradaxis[0],gzlvlzq1); delay(100.0e-6); shaped_pulse(zqfpat1,zqfpw1,zero,rof1,rof1); delay(100.0e-6); rgradient(gradaxis[0],0.0); obspower(tpwr); delay(100e-6); zgradpulse(gzlvl4,gt4); delay(gstab); rgpulse(pw,v4,rof1,0.0); } //pure shift chunks delay(d2/2.0); delay((0.25/sw1)-gt1-gstab - 2.0*GRADIENT_DELAY); if (gt1>0.0) { zgradpulse(gzlvl1,gt1); delay(gstab); } rgpulse(2.0*pw,v7,rof1,rof1); obspower(selpwr); delay((0.25/sw1)-gt1-gstab - 2.0*GRADIENT_DELAY - POWER_DELAY); if (gt1>0.0) { zgradpulse(gzlvl1,gt1); delay(gstab); } delay(gstab0); //ZS or PSYCHE if (gt2>0.0) { zgradpulse(gzlvl2,gt2); delay(gstab); } rgradient('z',gzlvl7); shaped_pulse(selshape,selpw, v8, rof1, rof1); if ((Gzqfilt[1]=='y') || (Gzqfilt[1]=='h')) { if (selpwr!=zqfpwr2) obspower(zqfpwr2); if (gradaxis[1]=='z') { rgradient('z',gzlvlzq2); } else { rgradient('z',0.0); rgradient(gradaxis[1],gzlvlzq2); } shaped_pulse(zqfpat2,zqfpw2,zero,rof1,rof1); if (Gzqfilt[1]=='h') { rgradient(gradaxis[1],0.0); if (tpwr!=zqfpwr2) obspower(tpwr); rgpulse(2.0*pw,zero,rof1,rof1); if (selpwr!=tpwr) obspower(selpwr); rgradient('z',gzlvl7); } else { shaped_pulse(zqfpat3,zqfpw2,zero,rof1,rof1); if (gradaxis[1]=='z') { rgradient('z',gzlvl7); } else { rgradient(gradaxis[1],0.0); rgradient('z',gzlvl7); } if (selpwr!=zqfpwr2) obspower(selpwr); } } shaped_pulse(selshape2,selpw, v8, rof1, rof1); rgradient('z',0.0); if (gt2>0.0) { zgradpulse(gzlvl2,gt2); delay(gstab); } rcvron(); obsblank(); obspower(tpwr); delay(gstab0-droppts/sw -POWER_DELAY); delay(d2/2.0); } /* detection */ status(C); }