# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
;hsqcetfpf3gpsi
;avance-version (10/02/12)
;HSQC
;2D H-1/X correlation via double inept transfer
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection
;with decoupling during acquisition
;using f3 - channel
;using flip-back pulse
;
;A.G. Palmer III, J. Cavanagh, P.E. Wright & M. Rance, J. Magn.
;   Reson. 93, 151-170 (1991)
;L.E. Kay, P. Keifer & T. Saarinen, J. Am. Chem. Soc. 114,
;   10663-5 (1992)
;J. Schleucher, M. Schwendinger, M. Sattler, P. Schmidt, O. Schedletzky,
;   S.J. Glaser, O.W. Sorensen & C. Griesinger, J. Biomol. NMR 4,
;   301-306 (1994)
;S. Grzesiek & A. Bax, J. Am. Chem. Soc. 115, 12593-12594 (1993)
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>
# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 141 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance2.incl,v 1.23 2009/07/23 15:57:04 ber Exp $
# 30 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi" 2

# 1 "/opt/topspin3.0/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=

# 27 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 31 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi" 2

# 1 "/opt/topspin3.0/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/topspin3.0/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/topspin3.0/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/topspin3.0/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/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 32 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi" 2


# 35 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d26=1s/(cnst4*4)"


"d0=3u"
# 43 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
"in0=inf1/2"


"DELTA1=p16+d16+8u"
# 49 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
"DELTA=p16+d16+larger(p2,p8)+d0*2"


# 1 "mc_line 55 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi 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)"
"MCWRK = 0.076923*d1"
"MCREST = d1 - d1"

    dccorr
# 55 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
# 55 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
1 ze
# 1 "mc_line 55 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi exp. def. of mc cmd. after ze"
# 56 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
  d11 pl16:f3
# 1 "mc_line 57 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi exp. start label for mc cmd."
2 MCWRK  * 6 do:f3
LBLF1, MCWRK  * 6
LBLST1, MCWRK 
  MCREST
# 58 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
3 (p1 ph1)
  d26 pl3:f3
  (center (p2 ph2) (p22 ph6):f3 )
  d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  (p1 ph2) 
  4u pl0:f1
  (p11:sp1 ph1:r):f1
  4u
  p16:gp1
  d16 pl1:f1
  (p21 ph3):f3
  d0 


  (center (p2 ph7) (p8:sp13 ph1):f2 )
# 77 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
  d0
  p16:gp2*EA
  d16
  (p22 ph4):f3
  DELTA
  (center (p1 ph1) (p21 ph4):f3 )
  d24
  (center (p2 ph1) (p22 ph1):f3 )
  d24
  (center (p1 ph2) (p21 ph5):f3 )
  d26
  (center (p2 ph1) (p22 ph1):f3 )
  d26
  (p1 ph1)
  DELTA1
  (p2 ph1)
  4u
  p16:gp3
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 98 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval5 = (ph1loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t1loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t1loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval5 = (ph1loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t1loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t1loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 100 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
exit
   

ph1=0 
ph2=1
ph3=0 2
ph4=0 0 2 2
ph5=1 1 3 3
ph6=0
ph7=0 0 2 2
ph31=2 0 0 2
  

;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl16: f3 channel - power level for CPD/BB decoupling
;sp1: f1 channel - shaped pulse  90 degree
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree shaped pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;d0 : incremented delay (2D)                           [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d24: 1/(4J)YH for YH
;     1/(8J)YH for all multiplicities
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 1 * n
;DS: >= 16
;td1: number of experiments
;FnMODE: echo-antiecho
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence
# 145 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
;use gradient ratio:	gp 1 : gp 2 : gp 3
;			  50 :   80 : 20.1       for C-13
;			  50 :   80 :  8.1       for N-15

;for z-only gradients:
;gpz1: 50%
;gpz2: 80%
;gpz3: 20.1% for C-13, 8.1% for N-15

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
# 160 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
                                          ;preprocessor-flags-start
;1: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


# 167 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcetfpf3gpsi"
;$Id: hsqcetfpf3gpsi,v 1.5.2.1 2010/02/12 15:14:18 ber Exp $
