# 1 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" ;hmbcetgpl3nd ;avance-version (12/01/11) ;HMBC ;2D H-1/X correlation via heteronuclear zero and double quantum ; coherence ;phase sensitive using Echo/Antiecho gradient selection ;with three-fold low-pass J-filter to suppress one-bond correlations ;no decoupling during acquisition ; ;D.O. Cicero, G. Barbato & R. Bazzo, J. Magn. Reson. 148, ; 209-213 (2001) ; ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= ;$RECOMMEND=y # 1 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance3.incl ; for AV III ; ;avance-version (13/06/17) ; ;$CLASS=HighRes Incl ;$COMMENT= # 169 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Avance.incl" ;$Id: Avance3.incl,v 1.9.8.3 2013/08/30 09:44:49 ber Exp $ # 21 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" 2 # 1 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for TCU3 ; ;avance-version (07/01/17) ; ;$CLASS=HighRes Incl ;$COMMENT= # 27 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Grad.incl" define list EA= # 31 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Grad.incl" ;$Id: Grad2.incl,v 1.13.8.1 2012/01/31 17:56:17 ber Exp $ # 22 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" 2 # 1 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" 1 ;Delay.incl - include file for commonly used delays ; ;version (13/08/07) ; ;$CLASS=HighRes Incl ;$COMMENT= # 9 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" ;general delays define delay DELTA define delay DELTA1 define delay DELTA2 define delay DELTA3 define delay DELTA4 define delay DELTA5 define delay DELTA6 define delay DELTA7 define delay DELTA8 define delay DELTA9 define delay DELTA10 define delay DELTA11 define delay DELTA12 define delay DELTA13 define delay DELTA14 define delay DELTA15 define delay DELTA16 define delay TAU define delay TAU1 define delay TAU2 define delay TAU3 define delay TAU4 define delay TAU5 define delay TAU6 define delay TAU7 define delay TAU8 define delay TAU9 # 40 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" define delay INCR1 define delay INCR2 define delay INCR3 define delay INCR4 define delay INCR5 define delay INCR6 ;delays for centering pulses # 50 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" define delay CEN_HN1 define delay CEN_HN2 define delay CEN_HN3 define delay CEN_HC1 define delay CEN_HC2 define delay CEN_HC3 define delay CEN_HC4 define delay CEN_HP1 define delay CEN_HP2 define delay CEN_CN1 define delay CEN_CN2 define delay CEN_CN3 define delay CEN_CN4 define delay CEN_CP1 define delay CEN_CP2 ;loop counters # 69 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" define loopcounter COUNTER define loopcounter SCALEF define loopcounter FACTOR1 define loopcounter FACTOR2 define loopcounter FACTOR3 define loopcounter FACTOR4 define loopcounter FACTOR5 define loopcounter FACTOR6 # 80 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/Delay.incl" ;$Id: Delay.incl,v 1.13.8.2 2013/08/30 09:44:49 ber Exp $ # 23 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" 2 # 26 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" "cnst30=(1-sfo2/sfo1)/(1+sfo2/sfo1)" define list EA1 = { 1.000 -cnst30} define list EA2 = { -cnst30 1.000} # 32 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" "p2=p1*2" "d6=1s/(cnst13*2)" "d0=3u" # 38 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" "in0=inf1/2" "DELTA1=1s/(2 * (cnst6 + 0.07 * (cnst7-cnst6) ) ) -p16-d16" "DELTA2=1s/(cnst7 + cnst6) -p16-d16" "DELTA3=1s/(2 * (cnst7 - 0.07 * (cnst7-cnst6) ) ) -p16-d16" "DELTA4=d6-p16-d16-4u" "DELTA5=p2+d0*2" # 1 "mc_line 48 file /opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd exp. def. part of mc cmd. before ze" define delay MCWRK define delay MCREST define delay d0orig "d0orig=d0" define loopcounter t1loop "t1loop=0" define loopcounter ph1loop "ph1loop=0" define loopcounter ST1CNT "ST1CNT = td1 / 2" "MCREST = d1 - d1" "MCWRK = 0.066667*d1" dccorr # 48 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" # 48 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" 1 ze # 1 "mc_line 48 file /opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd exp. def. of mc cmd. after ze" "d0=d0orig + t1loop * in0 " "phval4 = (t1loop * 180)%360" MCWRK ip4 + phval4 "phval31 = (t1loop * 180)%360" MCWRK ip31 + phval31 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA1 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA2 # 49 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" # 1 "mc_line 49 file /opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd exp. start label for mc cmd." 2 MCWRK * 7 LBLF1, MCWRK * 7 LBLST1, MCWRK MCREST # 50 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" 3 p1 ph1 DELTA1 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p16:gp3 d16 pl2:f2 (p3 ph3):f2 DELTA2 p16:gp4 d16 (p3 ph3):f2 DELTA3 p16:gp5 d16 (p3 ph3):f2 4u p16:gp6 d16 DELTA4 (p3 ph4):f2 d0 p2 ph2 d0 p16:gp1*EA1 d16 (p24:sp7 ph5):f2 DELTA5 p16:gp1*EA2 d16 pl2:f2 (p3 ph5):f2 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 # 1 "mc_line 80 file /opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd exp. mc cmd. in line" MCWRK wr #0 if #0 zd "ph1loop+=1" "d0=d0orig + t1loop * in0 " "phval4 = (t1loop * 180)%360" MCWRK ip4 + phval4 "phval31 = (t1loop * 180)%360" MCWRK ip31 + phval31 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA1 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA2 lo to LBLF1 times 2 MCWRK "t1loop+=1" "d0=d0orig + t1loop * in0 " "phval4 = (t1loop * 180)%360" MCWRK ip4 + phval4 "phval31 = (t1loop * 180)%360" MCWRK ip31 + phval31 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA1 MCWRK "phval0 = ph1loop * 1" MCWRK setgrad EA2 lo to LBLST1 times ST1CNT MCWRK "t1loop=0" "ph1loop=0" MCWRK # 82 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" exit ph1=0 ph2=0 0 0 0 2 2 2 2 ph3=0 0 2 2 ph4=0 2 ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph31=0 2 0 2 0 2 0 2 2 0 2 0 2 0 2 0 # 93 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;sp7: f2 channel - shaped pulse (180degree refocussing) ;spnam7: Crp60comp.4 ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p16: homospoil/gradient pulse [1 msec] ;p24: f2 channel - 180 degree shaped pulse for refocussing ; = 2msec for Crp60comp.4 ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d6 : delay for evolution of long range couplings (1/2Jlr) ;d16: delay for homospoil/gradient recovery ;cnst6: = 1J(XH)min ;cnst7: = 1J(XH)max ;cnst13: = J(XH) long range ;inf1: 1/SW(X) = 2 * DW(X) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;ns: 2 * n ;ds: 16 ;td1: number of experiments ;FnMODE: echo-antiecho ;use gradient ratio: gp 1 : gp 3 : gp 4 : gp 5 : gp 6 ; 80 : 14 : -8 : -4 : -2 # 122 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" ;for z-only gradients: ;gpz1: 80% ;gpz3: 14% ;gpz4: -8% ;gpz5: -4% ;gpz6: -2% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam3: SMSQ10.100 ;gpnam4: SMSQ10.100 ;gpnam5: SMSQ10.100 ;gpnam6: SMSQ10.100 # 138 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" ;Processing ;PH_mod(F1): pk (or no) ;use xfb and xf2m # 146 "/opt/topspin3.2.5/exp/stan/nmr/lists/pp/hmbcetgpl3nd" ;$Id: hmbcetgpl3nd,v 1.4.6.1 2012/01/31 17:56:25 ber Exp $