;Pulse Program Code for Bruker: ;“P.E.HSQMBC: Simultaneous measurement of proton–proton and proton–carbon coupling constants” ;by Josep Saurí, Pau Nolis, Laura Castañar, Albert Virgili and Teodor Parella. ;Journal of Magnetic Resonance 224 (2012) 101–106. DOI: 10.1016/j.jmr.2012.09.007 ;josep_nr_selbihsqmbc36 ;small-flip-angle non-refocused fully coupled HSQC experiment with 1J(CH)-scalable BIRD module ;2D H-1/X correlation via inept transfer ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;using shaped pulses for inversion and refocussing on f2 - channel ;Topspin2.1 #include #include #include "p2=p1*2" "d2=1s/(cnst3*2)" "d4=1s/(cnst2*4)" "d11=30m" "d0=3u" ;"in0=inf1/2" "DELTA1=50u+p16+d16" "DELTA2=d4-larger(p12,p14)/2-50u-p16-d16" "DELTA=p16+d16+50u+d0*2+p2" 1 ze 2 d1 pl1:f1 3 (p1 ph1) 50u UNBLKGRAD p16:gp6 d16 DELTA2 pl0:f2 pl0:f1 4u (center (p12:sp2 ph1) (p14:sp3 ph6):f2 ) 4u DELTA2 pl2:f2 pl1:f1 50u p16:gp6 d16 (p1 ph9) 50u p16:gp3 d16 (p3 ph3):f2 d0*3 p1 ph1 d2 (center (p2 ph1) (p4 ph1):f2 ) d2 p1 ph1 d0*3 d0 (p2 ph5) d0 50u p16:gp1*EA d16 pl0:f2 (p24:sp7 ph14):f2 DELTA pl2:f2 (p3 ph4):f2 50u p16:gp4 d16 (p1*0.4 ph2):f1 DELTA1 (p2 ph1):f1 50u p16:gp2 d16 BLKGRAD go=2 ph31 d1 mc #0 to 2 F1EA(igrad EA, id0 & ip3*2 & ip6*2 & ip31*2) exit ph1=0 ph2=1 ph3=0 2 ph4=0 ph5=0 ph6=0 ph9=1 1 3 3 ph14=0 ph31=0 2 ;pl0 : 120dB ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling ;sp3: f2 channel - shaped pulse 180 degree for inversion ;sp7: f2 channel - shaped pulse 180 degree for refocussing ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p14: f2 channel - 180 degree shaped pulse for inversion ;p16: homospoil/gradient pulse ;p22: f3 channel - 180 degree high power pulse ;p24: f2 channel - 180 degree shaped pulse for refocussing ;p28: f1 channel - trim pulse ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J)XH ;d11: delay for disk I/O [30 msec] ;d16: delay for homospoil/gradient recovery ;cnst2: = nJ(XH) ;cnst3: = 1J(XH) ;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 ;FnMODE: echo-antiecho ;use gradient ratio: gp 1 : gp 2 ; 80 : 20.1 for C-13 ; 80 : 8.1 for N-15 ;for z-only gradients: ;gpz1: 80% ;gpz2: 20.1% ;gpz3: 33% ;gpz4: 50% ;gpz6: 17% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam6: SINE.100