;Pulse Program Code for Bruker: ;pp:piphsqc ;2D Experiment ;Pure In-Phase HSQC (PIP-HSQC)with final adiabatic z-filter and perfect echo gradient ;2D H-1/X correlation via inept transfer ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;optional IPAP using const25 ;L. Castañar, J. Saurí, R. T. Williamson, A. Virgili & T. Parella ; Angew. Chem. Intl. Ed. (2014)53, 8379-8382 ; DOI: 10.1002/anie.201404136 ;Avance version (13/03/2014) ;Topspin1.3 #include #include #include "p2=p1*2" "d6=1s/(cnst2*4)" "d12=20u" "d0=3u" ;"in0=inf1/2" "DELTA2=d6-larger(p2,p14)/2" "DELTA=p16+d16+p2+d0*2" "DELTA4=p16+d16" 1 ze 2 d1 pl1:f1 3 (p1 ph1) DELTA2 pl0:f2 (center (p2 ph1) (p14:sp3 ph6):f2 ) DELTA2 pl2:f2 UNBLKGRAD (p1 ph2) (p3 ph3):f2 d0 (p2 ph5) d0 p16:gp1*EA d16 pl0:f2 (p24:sp7 ph4):f2 DELTA pl2:f2 (ralign (p1 ph1) (p3 ph4):f2 ) if "cnst25==0" { DELTA2 pl0:f2 (center (p2 ph1) (p14:sp3 ph1):f2 ) DELTA2 pl2:f2 } else { d6 (p2 ph2) d6 } if "cnst25==0" { (p1 ph2):f1 } else { (p1 ph1):f1 } d12 pl0:f1 300u gron0 (p32:sp29 ph1):f1 300u groff d12 pl1:f1 p1 ph1 DELTA4 p2 ph1 DELTA4 p1 ph2 DELTA4 p2 ph1 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 ph31=0 2 ;pl0 : 0W ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;sp3: f2 channel - shaped pulse 180 degree ;sp7: f2 channel - shaped pulse 180 degree ;sp29: f2 channel - shaped adiabatic pulse 180 degree ;spnam3: shaped pulse for 180 degree for inversion [Crp60,0.5,20.1] ;spnam7: shaped pulse for 180 degree for refocussing [Crp60comp.4] ;spnam29: shaped adiabatic pulse for 180 degree [Crp30] ;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 ;p14: f2 channel - 180 degree shaped pulse for inversion [500 us] ;p24: f2 channel - 180 degree shaped pulse for refocusing [2 ms] ;p32: f2 channel - 180 degree shaped pulse for adiabatic z-filter [30 ms] ;p16: homospoil/gradient pulse [1 ms] ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;cnst25:0 (IP) / 1 (AP) ;cnst2: 1J(XH)(one bond coupling constant) [140 Hz] ;d6 : 1/(4J)XH (optimized to one bond coupling constant) ;d16: delay for homospoil/gradient recovery [20us] ;inf1: 1/SW(X) = 2 * DW(X) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;NS: 2 * n ;DS: >= 2 ;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% for C-13, 8.1% for N-15 ;gpz0: 3% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100