;hsqcetfpgpsi2 ;with SIERRA filter ;avance-version (11/02/24) ;LWA 1/6/20 ;HSQC ;2D H-1/X correlation via double inept transfer ; using sensitivity improvement ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;with decoupling during acquisition ;using flip-back pulse ;with gradients in back-inept ; ;Arbogast, L.W.; Delaglio, F.; Tolman, J.R.; Marino, J.P. ;JBNMR 2018, 72, 149-161 ; ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= #include #include #include # ifdef SIERRA ;define target frequencies define list f1_zero={sfo hz, 0.0} define list f2_zero={sfo hz, 0.0} define list sierraf1=<$FQ1LIST> define list sierraf2=<$FQ2LIST> ; define CP power levels (comment out for manual optimization) "cnst9=cnst5*0.433" "plw33=cnst1*plw1*pow(cnst9*4*p1*0.000001,2)" "plw34=cnst1*plw2*pow(cnst9*4*p3*0.000001,2)*(cnst20/100)" ;define CP pulses "p42=1s/cnst5" "spoff33=0" "spoff34=0" ; set SIERRA loop counter "l3 = sierraf1.len" # endif /*SIERRA*/ "p2=p1*2" "p4=p3*2" "d4=1s/(4*cnst2)" "d24=1s/(8*cnst2)" "d11=30m" "d12=20u" "d0=3u" "in0=inf1/2" # ifdef SELECTIVE "DELTA=p16+d16+d0*2+p2+d5" # else "DELTA=p16+d16+d0*2+p2" # endif /*SELECTIVE*/ "DELTA1=p16+d16-p1*0.78+de+8u" "DELTA2=d24-p19-d16" "DELTA3=d4-p16-d16" "cnst0=0" "acqt0=0" baseopt_echo 1 ze d11 pl12:f2 pl1:f1 2 d1 do:f2 # ifdef SIERRA 50u UNBLKGRAD p18:gp6 d16 3 2u 2u sierraf1:f1 sierraf2:f2 2u pl33:f1 pl34:f2 (center (p42 ph1):f1 (p42 ph1):f2) 2u 2u pl1:f1 p2 ph2 2u 2u pl33:f1 (p42 ph1):f1 2u sierraf1.inc sierraf2.inc 2u pl1:f1 p2 ph2 2u f1_zero:f1 f2_zero:f2 lo to 3 times l3 2u sierraf1.res sierraf2.res # else 50u UNBLKGRAD # endif /*SIERRA*/ d12 pl1:f1 pl2:f2 (p3 ph1):f2 p18:gp6 d16 4 ; Begin HSQC (p1 ph1) d4 (center (p2 ph2) (p4 ph6):f2 ) d4 (p1 ph2) 4u pl0:f1 (p11:sp1 ph8:r):f1 4u p17:gp1 d16 pl1:f1 #ifdef SELECTIVE (p23:sp23 ph3):f2 #else (p3 ph3):f2 # endif /*SELECTIVE */ d0 (p2 ph7):f1 d0 p16:gp2*EA d16 #ifdef SELECTIVE (p24:sp24 ph4):f2 #else (p4 ph4):f2 # endif /*SELECTIVE */ DELTA pl2:f2 (center (p1 ph1) (p3 ph4):f2 ) p19:gp4 d16 DELTA2 (center (p2 ph1) (p4 ph1):f2 ) DELTA2 p19:gp4 d16 (center (p1 ph2) (p3 ph5):f2 ) p16:gp5 d16 DELTA3 (center (p2 ph1) (p4 ph1):f2 ) DELTA3 p16:gp5 d16 (p1 ph1) DELTA1 (p2 ph1) 4u p16:gp3 d16 pl12:f2 4u BLKGRAD go=2 ph31 cpd2:f2 d1 do:f2 mc #0 to 2 F1EA(calgrad(EA) & calph(ph5, +180), caldel(d0, +in0) & calph(ph3, +180) & calph(ph6, +180) & calph(ph31, +180)) exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=1 1 3 3 ph6=0 ph7=0 0 2 2 ph8=2 ph10=0 ph20=0 ph31=2 0 0 2 ;pl0 : 0W Dummy power ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling ;pl33: f1 channel - CP power ;pl34: f2 channel - CP power ;sp1 : f1 channel - shaped pulse 90 degree ;spnam1: Squa.100.1000 ;spnam23: f2 channel - shaped pulse 90 degree [Q5] ;spnam24: f2 channel - shapled pulse 180 degree [Q3] ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p4 : f2 channel - 180 degree high power pulse ;p11: f1 channel - 90 degree shaped pulse ;p16: homospoil/gradient pulse [1 msec] ;p17: Post-INEPT Z-filter ;p18: SIERRA Z-filter ;p19: gradient pulse 2 [600 usec] ;p23: f2 channel shaped 90 degree pulse ;p24: f2 channel shaped 180 degree pulse ;p42: CP pulse (1/J) ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J) ;d11: delay for disk I/O [30 msec] ;d16: delay for homospoil/gradient recovery ;d24: 1/(8J) for CH3 ; 1/(4J) for XH ;d5: seletive pulse compensation delay ;cnst1: CP power flag ; 1 = pwr on 0 = pwr off ;cnst2: = JCH; for INEPT Delay ;cnst4 = JCH; for CP parameters ;cnst20: 13C CP power scaling factor ;inf1: 1/SW(X) = 2 * DW(X) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;NS: 1 * n ;DS: >= 16 ;td1: number of experiments ;l3: SIERRA loop counter ;FnMODE: echo-antiecho ;cpd2: decoupling according to sequence defined by cpdprg2 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 ; 50 : 80 : 20.1 : 5 : -2 : 95 for C-13 ; 50 : 80 : 8.1 : 5 : -2 : 95 for N-15 ;for z-only gradients: ;gpz1: 50% ;gpz2: 80% ;gpz3: 8.1% for N-15, 20.1% for C-13 ;gpz4: 5% ;gpz5: -2% ;gpz6: 95% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam2: SMSQ10.100 ;gpnam3: SMSQ10.100 ;gpnam4: SMSQ10.50 ;gpnam5: SMSQ10.100 ;gpnam6: SMSQ10.100 ;preprocessor-flags start ;SIERRA: for SIERRA Filter ; option -DSIERRA ;SELECTIVE: for 13C seletive pulsing ; option -DSELECTIVE ;preprocessor-flags-end ;$Id: hsqcetfpgpsi2,v 1.2.2.2 2011/02/24 17:27:48 ber Exp $