# 1 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" ;IMPACT-HMBC ;avance-version ;phase sensitive HMBC using Echo/Antiecho gradient selection ;with three-fold low-pass J-filter to suppress one-bond correlations ;no decoupling during acquisition ;using constant time for suppressing F1 skew ;using ASAP mixing for suppressing F1 ridges ; J. Furrer, Chem. Commun. 2010. ;Echo/Antiecho scheme ;D.O. Cicero, G. Barbato & R. Bazzo, J. Magn. Reson. 148, 209-213 (2001) ;Constant time ;K. Furihata & H. Seto, Tetrahedron Lett. 39, 7337-7340 (1998) ;ASAP method ;E. Kupce & R . Freeman, Magn. Reson. Chem. 45, 2-6 (2007) # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance3.incl ; for AV III ; ;avance-version (07/12/14) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance3.incl,v 1.6.2.2 2007/12/14 16:06:46 ber Exp $ # 20 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" 2 # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for 1 ; ;avance-version (07/01/17) ; ;$CLASS=HighRes Incl ;$COMMENT= define list EA= ;$Id: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $ # 21 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" 2 # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Delay.incl" 1 ;Delay.incl - include file for commonly used delays ; ;version 00/02/07 ; ;$CLASS=HighRes Incl ;$COMMENT= ;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 TAU define delay TAU1 define delay TAU2 define delay TAU3 define delay TAU4 define delay TAU5 ;delays for centering pulses 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 define loopcounter COUNTER define loopcounter SCALEF define loopcounter FACTOR1 define loopcounter FACTOR2 define loopcounter FACTOR3 ;$Id: Delay.incl,v 1.12 2005/11/10 12:16:58 ber Exp $ # 22 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" 2 "cnst30=(1-sfo2/sfo1)/(1+sfo2/sfo1)" define list EA1 = {1.000 -cnst30} define list EA2 = {-cnst30 1.000} "p2=p1*2" "d0=3u" "in0=inf1/2" "in20=in0" ;"------------ Fixed delays, do not change --------------" "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=1s/(cnst13*2)" "DELTA5=p2+d0*2" "FACTOR1=(d9/(p6*115.112))/2+0.5" "l1=FACTOR1*2" "d20=in20*td1/2+4u" # 1 "mc_line 46 file /opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis expanding definition part of mc command before ze" define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / (2)" "MCWRK = 0.142857*d11" "MCREST = d11 - d11" dccorr # 46 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" 1 ze # 1 "mc_line 46 file /opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis expanding definition of mc command after ze" # 47 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" # 1 "mc_line 47 file /opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis expanding start label for mc command" 2 MCWRK * 2 LBLSTS1, MCWRK * 4 LBLF1, MCWRK MCREST # 48 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" 3 d1*0.5 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 ; beginning of the ASAP period 4 p16:gp6 d16 d12 pl10:f1 p6*3.556 ph23 p6*4.556 ph25 p6*3.222 ph23 p6*3.167 ph25 p6*0.333 ph23 p6*2.722 ph25 p6*4.167 ph23 p6*2.944 ph25 p6*4.111 ph23 p6*3.556 ph25 p6*4.556 ph23 p6*3.222 ph25 p6*3.167 ph23 p6*0.333 ph25 p6*2.722 ph23 p6*4.167 ph25 p6*2.944 ph23 p6*4.111 ph25 p6*3.556 ph25 p6*4.556 ph23 p6*3.222 ph25 p6*3.167 ph23 p6*0.333 ph25 p6*2.722 ph23 p6*4.167 ph25 p6*2.944 ph23 p6*4.111 ph25 p6*3.556 ph23 p6*4.556 ph25 p6*3.222 ph23 p6*3.167 ph25 p6*0.333 ph23 p6*2.722 ph25 p6*4.167 ph23 p6*2.944 ph25 p6*4.111 ph23 lo to 4 times l1 d12 p16:gp6 d16 d1*0.5 pl1:f1 ; end of the ASAP period 5 p0 ph1 ;Ernst angle DELTA1 ;tau 1 p16:gp2 d16 p3:f2 ph3 DELTA2 ;tau 2 p16:gp3 d16 p3:f2 ph3 DELTA3 ;tau 3 p16:gp4 d16 p3:f2 ph3 DELTA4 ;Delta p16:gp5 d16 d20 ;constant time delay p3:f2 ph4 d0 p2 ph2 d0 p16:gp1*EA1 d16 (p24:sp7 ph5):f2 DELTA5 p16:gp1*EA2 d16 pl2:f2 (p3 ph5):f2 d20 ;constant time delay 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 # 1 "mc_line 133 file /opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis expanding mc command in line" MCWRK wr #0 if #0 zd igrad EA1 MCWRK igrad EA2 lo to LBLSTS1 times 2 MCWRK id0 MCWRK dd20 MCWRK ip4*2 MCWRK ip31*2 lo to LBLF1 times ST1CNT MCWRK # 135 "/opt/topspin/exp/stan/nmr/lists/pp/user/IMPACT-HMBC-bis" exit ph1=0 ph2=0 0 0 0 2 2 2 2 ph3=0 ph4=0 2 ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph6=0 ph7=1 ph23=1 ph25=3 ph31=0 2 0 2 0 2 0 2 2 0 2 0 2 0 2 0 ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl10 : f1 channel - power level for ASAP ;sp7: f2 channel - shaped pulse (180degree refocussing) ;spnam7: Crp60comp.4 for broadband experiment ; : G3 (for band selective) or Gaussian (for selective) ;p0 : f1 channel - high power pulse - Ernst Angle ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p6 : f1 channel - 90 degree ASAP pulse (ca. 50 us) ;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) ;d9 : ASAP mixing time (ca. 40 ms) ;d16: delay for homospoil/gradient recovery ;d20: constant time delay (in20*td1/2+4u) ;cnst6: = 1J(XH)min ;cnst7: = 1J(XH)max ;cnst13: = J(XH) long range ;in0: 1/(2 * SW(X)) = DW(X) ;in20 : = in0 (decrementation step for d20) ;nd0: 2 ;NS: 2 * n ;DS: 16 ;td1: number of experiments ;FnMODE: echo-antiecho ;gpz1: 80% ;gpz2: 37% ;gpz3: -19% ;gpz4: -11% ;gpz5: -7% ;gpz6: -17% ;gpnam1-6: SINE.100 ;PH_mod(F1): pk (or no) ;use xfb and xf2m