# 1 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
;hsqcgsf2df3_2.fl

;[13C,1H]-HSQC
;gradient-coherence selected, no sensitivity enhancement
;using 13C 180deg. BIPs in INEPTs

;$OWNER=doetsch
# 1 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=
# 169 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.10.2.2 2013/08/30 09:43:33 ber Exp $
# 8 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl" 2

# 1 "/opt/topspin3.6.0/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/topspin3.6.0/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.14 2012/01/31 17:49:21 ber Exp $
# 9 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl" 2

# 1 "/opt/topspin3.6.0/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/topspin3.6.0/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 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/topspin3.6.0/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/topspin3.6.0/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/topspin3.6.0/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/topspin3.6.0/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.14.2.1 2013/08/30 09:43:33 ber Exp $
# 10 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl" 2


"p2=p1*2"
"p44=200*600.13/bf1"
"spw30=plw1*(pow((p1*8/p44),2))"  
"spoff30=0"
# 17 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
"p8=137*176.0579/bf2"
"spw13=plw2/((p8*90)/(p3*totrot13))*((p8*90)/(p3*totrot13))*(integfac13*integfac13)" ; check in prosol
"p14=120*150.902/bf2"
"spw1=plw2/((p14*45)/(p3*totrot1))*((p14*45)/(p3*totrot1))*(integfac1*integfac1)"
"spoff1=cnst22*bf2/1000000-o2"
"p15=4.875/(cnst5*bf2/1000000)" 
"spw5=plw2*(pow((p3*1.97/p15)/0.0798,2))"   
"spoff5=0"

"d0=3u"

"in0=inf1/2"
# 31 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
"DELTA1=d4/2-p17-200u"
"DELTA2=d4/2-p19-200u-p1*2/PI"
"DELTA3=d4/2-p19-204u-de"

;"acqt0=0"
;baseopt_echo

# 1 "mc_line 38 file /opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl exp. def. part of mc cmd. before ze"
; dimension 2D; AQ_mode  (F1) Echo-Antiecho
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 = trunc(td1 / 2)"
"MCREST = 3m - 3m"
"MCWRK = 0.090909*3m"

    dccorr
# 38 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
1 ze
# 1 "mc_line 38 file /opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl exp. def. of mc cmd. after ze"
LBLAV, MCWRK
      "d0=d0orig + t1loop * in0 "
      "phval3 = (t1loop * 180)%360"
      MCWRK ip3 + phval3
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA
# 39 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
  d11 pl12:f2
# 1 "mc_line 40 file /opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl exp. start label for mc cmd."
2 MCWRK  * 5 do:f2
LBLF1, MCWRK  * 5
LBLST1, MCWRK 
  MCREST
# 41 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
  d1 pl2:f2
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p1 ph1
  p17:gp1
  200u
  DELTA1
  (center (p2 ph1):f1 (p8:sp13 ph3):f2 )
  p17:gp1
  200u pl2:f2
  DELTA1
  p1 ph2 
  p17:gp2
  200u 
# 55 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
  (p3 ph3):f2
  d0
  (center (p44:sp30 ph1):f1 (p14:sp1 ph1):f2 (p22 ph1):f3 )
  d0
  p18:gp3*EA*-1
  200u 
  (p15:sp5 ph4):f2
  p18:gp3*EA
  193u
  (center (p44:sp30 ph1):f1 (p14:sp1 ph1):f2 )
  3u
  10u pl2:f2
  (p3 ph1):f2
  p17:gp4
  200u pl1:f1
  p1 ph1
  p19:gp5
  200u
  DELTA2
  (center (p2 ph1):f1 (p8:sp13 ph1):f2 )
  p19:gp6
  200u pl12:f2
  DELTA3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpds2:f2
# 1 "mc_line 80 file /opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl exp. mc cmd. in line"
  MCWRK  do:f2 wr #0 if #0 zd 

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

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval3 = (t1loop * 180)%360"
      MCWRK ip3 + phval3
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK rf #0
  lo to LBLAV times tdav
# 83 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
exit

ph1 = 0
ph2 = 1 1 3 3
ph3 = 0 2
ph4 = 0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3
ph5 = 1

ph31= 0 2 2 0 2 0 0 2
# 93 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
;cnst22: CO chemical shift (offset, in ppm)
;o2p: Cali chemical shift

;cnst5: 13Cali refocusing band width (in ppm)

;sp1: 180deg. 13C'
;spnam1: Sinc1.1000
;sp5: 180deg. 13Cali
;spnam5: Reburp.1000
# 103 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
;spw13: power level of 13C 180deg. Bip on 13C
;spnam13: Bip720,100,10.1
;p8: width of Bip720,100,10.1

;sp30: 180deg 1H 
;spnam30: Bip720,50,20.1
;p44: width of 1H Bip720,50,20.1 

;d4: 1/(2*1JCH)
# 113 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
;gradients:

;p17: 500u
;p18: 1m
;p19: 1m

# 120 "/opt/topspin3.6.0/exp/stan/nmr/lists/pp/user/hsqcgsf2df3_2.fl"
;gpz1: -10
;gpz2: 2
;gpz3: -70
;gpz4: 7
;gpz5: 5
;gpz6: 40.2

;use gradient files:
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SMSQ10.100
;gpnam4: SINE.100
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100

