# 1 "/opt/MNMR/pp/sfhmqcgpph.x"
;sfhmqcgpph.x
;so fast H-C HMQC 
;modified from sfhmqcf3gpph by youlin
;setup experiment by python script sfhmqc


# 8 "/opt/MNMR/pp/sfhmqcgpph.x"
;avance-version (09/11/18)
;SOFAST HMQC
;2D H-1/X correlation via heteronuclear zero and double quantum
;   coherence
;phase sensitive
;with decoupling during acquisition
;
;P.Schanda and B. Brutscher, J. Am. Chem. Soc. 127, 8014 (2005)
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>
# 1 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (07/12/14)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 165 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.9 2009/07/02 16:40:43 ber Exp $
# 27 "/opt/MNMR/pp/sfhmqcgpph.x" 2

# 1 "/opt/topspin3.1/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/topspin3.1/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 28 "/opt/MNMR/pp/sfhmqcgpph.x" 2

# 1 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=

# 9 "/opt/topspin3.1/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 TAU
define delay TAU1
define delay TAU2
define delay TAU3
define delay TAU4
define delay TAU5
# 29 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Delay.incl"
;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

# 48 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Delay.incl"
;loop counters

define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3

# 58 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 29 "/opt/MNMR/pp/sfhmqcgpph.x" 2


# 32 "/opt/MNMR/pp/sfhmqcgpph.x"
"d11=30m"
"d12=20u"
"d21=1s/(cnst2*2)"


"in0=inf1"
# 39 "/opt/MNMR/pp/sfhmqcgpph.x"
"d0=in0/2-p3*4/3.1415"


"DELTA1=d21-p16-d16-p39*cnst39"
"DELTA2=p39*cnst39-de-4u"
# 45 "/opt/MNMR/pp/sfhmqcgpph.x"
"spoff23=bf1*(cnst19/1000000)-o1"
"spoff24=bf1*(cnst19/1000000)-o1"


# 1 "mc_line 49 file /opt/MNMR/pp/sfhmqcgpph.x exp. def. part of mc cmd. before ze"
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 /(2)"
"MCWRK = 0.333333*d1"
"MCREST = d1 - d1"

    dccorr
# 49 "/opt/MNMR/pp/sfhmqcgpph.x"
1 ze 
# 1 "mc_line 49 file /opt/MNMR/pp/sfhmqcgpph.x exp. def. of mc cmd. after ze"
# 50 "/opt/MNMR/pp/sfhmqcgpph.x"
  d11 pl12:f2
# 1 "mc_line 51 file /opt/MNMR/pp/sfhmqcgpph.x exp. start label for mc cmd."
2 MCWRK  do:f2
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 52 "/opt/MNMR/pp/sfhmqcgpph.x"
3 d12 pl0:f1 pl2:f2
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
# 55 "/opt/MNMR/pp/sfhmqcgpph.x"
  p16:gp2
  d16

  (p39:sp23 ph1):f1
  p16:gp1
  d16

  (center (p40:sp24 ph2):f1 (DELTA1 p3 ph3 d0 p3 ph4 DELTA1):f2 )
# 65 "/opt/MNMR/pp/sfhmqcgpph.x"
  DELTA2
  p16:gp1
  d16 pl12:f2
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd2:f2 
# 1 "mc_line 70 file /opt/MNMR/pp/sfhmqcgpph.x exp. mc cmd. in line"
  MCWRK  do:f2 wr #0 if #0 zd ip3
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 72 "/opt/MNMR/pp/sfhmqcgpph.x"
exit 
  

ph1=0 
ph2=0 
ph3=0 2
ph4=0 0 2 2 
ph31=0 2 2 0

# 82 "/opt/MNMR/pp/sfhmqcgpph.x"
;pl2 : f2 channel - power level for pulse (default)
;pl26: f3 channel - power level for CPD/BB decoupling (low power)
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;sp23: f1 channel - shaped pulse 120 degree 
;                   (Pc9_4_120.1000 or Q5.1000)
;sp24: f1 channel - shaped pulse 180 degree (Rsnob.1000)
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse                       [1 msec]
;p21: f3 channel -  90 degree high power pulse
;p39: f1 channel - 120 degree shaped pulse for excitation
;                      Pc9_4_120.1000 (120o)    (3.0ms at 600.13 MHz)
;                  (or Q5.1000 (90o)            (2.0ms at 600.13 MHz) )
;p40: f1 channel - 180 degree shaped pulse for refocussing
;                      Rsnob.1000               (1.0ms at 600.13 MHz)
;d0 : incremented delay (2D) = in0/2-p21*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
;d21 : 1/(2J)NH
;cnst4: = J(NH)
;cnst19: center of H(C) chemical shift (offset, in ppm)
;cnst39: compensation of chemical shift evolution during p39
;           Pc9_4_120.1000: 0.529
;           Q5.1000: -0.07
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/ SW(N) = 2 * DW(N)
;nd0: 1
;NS: 2 * 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.p62
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
;          use pulse of >= 350 usec


;use gradient ratio:	gp 1 : gp 2
;			  11 :    7
# 124 "/opt/MNMR/pp/sfhmqcgpph.x"
;for z-only gradients:
;gpz1: 11%
;gpz2:  7%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100

# 133 "/opt/MNMR/pp/sfhmqcgpph.x"
                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


;Processing
# 141 "/opt/MNMR/pp/sfhmqcgpph.x"
;PHC0(F1): 90
;PHC1(F1): -180
;FCOR(F1): 1


# 147 "/opt/MNMR/pp/sfhmqcgpph.x"
;$Id: sfhmqcf3gpph,v 1.1.2.8 2009/11/18 11:19:58 ber Exp $
