;sfhmqcf2gpph.nuws.cw ;1H,13C SOFAST HMQC ;switch on NUWS with -DNUWS ;option for first-increment only with -DONE_D ;with apodisation-weighted sampling ;with exorcycle on 1H 180 ;phase sensitive ;with decoupling during acquisition ; ;set sampling schedule via vclist: ; total number of scans = ns * c ; add one to first point of vclist to allow for dummy scans ; ;modified Chris Waudby 10/10/16 ; ;P.Schanda and B. Brutscher, J. Am. Chem. Soc. 127, 8014 (2005) ; ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= #include #include #include #ifdef NUWS define loopcounter dsFlag ; dsFlag starts as 1, will be set to zero after first set of dummy scans is completed "dsFlag=1" #endif /* NUWS */ "d11=30m" "d12=20u" "d21=1s/(cnst2*2)" "in0=inf1" "d0=in0/2-p3*4/3.1415" "DELTA1=d21-p16-d16-p39*cnst39" "DELTA2=p39*cnst39-de-4u" "acqt0=de" "spoffs23=bf1*(cnst19/1000000)-o1" "spoffs24=bf1*(cnst19/1000000)-o1" 1 ze d11 pl12:f2 2 d1 do:f2 3 d12 pl2:f2 50u UNBLKGRAD ; purge equilibrium 13C (p3 ph1):f2 4u p16:gp2 d16 (p39:sp23 ph1):f1 p16:gp1 d16 #ifdef ONE_D (center (p40:sp24 ph2):f1 (DELTA1 p3 ph3 0.1u p3 ph4 DELTA1):f2 ) #else (center (p40:sp24 ph2):f1 (DELTA1 p3 ph3 d0 p3 ph4 DELTA1):f2 ) #endif /* ONE_D */ DELTA2 p16:gp1 d16 pl12:f2 4u BLKGRAD go=2 ph31 cpd2:f2 #ifdef NUWS if "dsFlag==0" goto 10 zd "dsFlag=0" goto 2 10 4u ; repeat acquisition block according to schedule in vclist lo to 2 times c 30u ivc #endif /* NUWS */ d1 do:f2 mc #0 to 2 F1PH(ip3, id0) exit ph1=0 ph2=0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3 ph3=0 2 ph4=0 0 2 2 ph31=0 2 2 0 2 0 0 2 ;pl2 : f2 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling (low power) ;sp23: f1 channel - shaped pulse 120 degree (Pc9_4_120.1000) ;sp24: f1 channel - shaped pulse 180 degree (Reburp.1000) ;p16: homospoil/gradient pulse [1 msec] ;p3: f2 channel - 90 degree high power pulse ;p39: f1 channel - 120 degree shaped pulse for excitation ; Pc9_4_120.1000 (120o) ;p40: f1 channel - 180 degree shaped pulse for refocussing ; Reburp.1000 ;d0 : incremented delay (2D) = in0/2-p3*4/3.1415 ;d1 : relaxation delay ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;cnst2: = J(CH) [125 Hz for methyls] ;cnst19: H(met) chemical shift (offset, in ppm) ;cnst39: compensation of chemical shift evolution during p39 ; Pc9_4_120.1000: 0.529 ;inf1: 1/SW(C) = 2 * DW(C) ;in0: 1/ SW(C) = 2 * DW(C) ;nd0: 1 ;NS: 4 * n ;DS: 16 ;aq: <= 50 msec ;td1: number of experiments ;FnMODE: States-TPPI, TPPI, States or QSEC ;cpd2: decoupling according to sequence defined by cpdprg2: garp4 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 ; 11 : 7 ;for z-only gradients: ;gpz1: 11% ;gpz2: 7% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam2: SMSQ10.100 ;preprocessor-flags-start ;preprocessor-flags-end ;Processing ;PHC0(F1): 90 ;PHC1(F1): -180 ;FCOR(F1): 1 ;$Id: sfhmqcf3gpph,v 1.1.2.8 2009/11/18 11:19:58 ber Exp $