# 1 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
;noesyNhsqcwg5.go
;avance-version (02/10/21)
;3D NOESY-15N-HSQC for 13C 15N doubled labeled sample without water flip back pulse for big molecular.
;phase sensitive
;with decoupling during acquisition and 13C decoupling during t1 and t2 evolution in f2 channel
;using f3 - channel
;water suppression using watergate sequence
;
;G. Bodenhausen & D.J. Ruben, Chem. Phys. Lett. 69, 185 (1980)
;M. Piotto, V. Saudek & V. Sklenar, J. Biomol. NMR 2, 661 - 666 (1992)
;V. Sklenar, M. Piotto, R. Leppik & V. Saudek, J. Magn. Reson.,
;   Series A 102, 241 -245 (1993)


;$OWNER=go
prosol relations=<triple>
# 18 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
  
# 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 169 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.10.2.2 2013/08/30 09:43:33 ber Exp $
# 19 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go" 2

# 1 "/opt/topspin/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/topspin/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/topspin/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/topspin/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/topspin/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/topspin/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.14.2.1 2013/08/30 09:43:33 ber Exp $
# 20 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go" 2

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


# 31 "/opt/topspin/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.14 2012/01/31 17:49:21 ber Exp $
# 21 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go" 2


"in0=inf1/2"
"in10=inf2/2"
# 27 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
"p2=p1*2"
"p4=p3*2"

"p22=p21*2"
"p17=500u"
"p16=900u"
"d11=30m"
"d12=20u"
"d0=in0*0.5*cnst9-p1*2/3.1415"

"d10=in10*0.5*cnst10-p3-p21*2/3.1415"
# 41 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
;cnst9: 1 for 135/-180 phase correction in 1H dimension
;cnst10: 1 for 90/-180 phase correction in 15N dimension

"d26=1s/(cnst4*4)"

"d7=(d8-p16-d16-p22-p4-4u)*0.5"
# 48 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
"DELTA1=d26-p16-p11-12u"

aqseq 312

# 1 "mc_line 52 file /opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go exp. def. part of mc cmd. before ze"
; dimension 3D; AQ_mode  (F2) States-TPPI (F1) States-TPPI
define delay MCWRK
define delay MCREST
define delay d0orig
"d0orig=d0"
define delay d10orig
"d10orig=d10"
define loopcounter t2loop
"t2loop=0"
define loopcounter t1loop
"t1loop=0"
define loopcounter ph1loop
"ph1loop=0"
define loopcounter ph2loop
"ph2loop=0"
define loopcounter ST1CNT
"ST1CNT = trunc(td2 / 2)"
define loopcounter ST2CNT
"ST2CNT = trunc(td1 / 2)"
"MCREST = d1 - d1"
"MCWRK = 0.055556*d1"

    dccorr
# 52 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
1 ze 
# 1 "mc_line 52 file /opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go exp. def. of mc cmd. after ze"
LBLAV, MCWRK
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * 90"
      MCWRK ip10 + phval10
      "d10=d10orig + t2loop * in10 "
      "phval4 = (ph2loop % 4) * 90"
      MCWRK ip4 + phval4
      "phval6 = (ph2loop % 4) * 90"
      MCWRK ip6 + phval6
# 53 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
  d11 pl16:f3
# 1 "mc_line 54 file /opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go exp. start label for mc cmd."
2 MCWRK  * 4 do:f3
LBLF2, MCWRK  * 4
LBLST2, MCWRK  * 5
LBLF1, MCWRK  * 4
LBLST1, MCWRK 
  MCREST
# 55 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
3 d12 pl1:f1 pl2:f2 pl3:f3
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
# 58 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
  (p1 ph10):f1


  if "d0>p22*0.5+p4*0.5"
  {
  "d20=d0-(p22+p4)*0.5"
  d20
  (p22 ph9):f3  
  (p4 ph9):f2
  d20
  }
  else
  {
  d0
  d0
  }
  
# 88 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
# 90 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
9 (p1 ph11):f1
  d7
  (p22 ph9):f3
  (p4 ph9):f2
  d7
  p16:gp1
  d16
  4u pl1:f1
  (p1 ph0)
  d26
  (center (p2 ph1) (p22 ph6):f3 )
  d26 
  (p1 ph1)

  3u
  p17:gp2
  d16

  (p21 ph4):f3
  d10
# 112 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
   (center (p2 ph5) (p4 ph9):f2)


# 117 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
 d10
11 (p21 ph0):f3   

  3u
  p17:gp2
  d16

  (p1 ph2) 
  4u
  p16:gp3
  DELTA1 pl0:f1
  (p11:sp1 ph7:r):f1
  4u
  4u pl1:f1
  (center (p2 ph0) (p22 ph0):f3 )
  4u pl0:f1
  (p11:sp1 ph7:r):f1
  4u
  p16:gp3
  DELTA1 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 
  go=2 ph31 cpd3:f3
# 1 "mc_line 139 file /opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * 90"
      MCWRK ip10 + phval10
      "d10=d10orig + t2loop * in10 "
      "phval4 = (ph2loop % 4) * 90"
      MCWRK ip4 + phval4
      "phval6 = (ph2loop % 4) * 90"
      MCWRK ip6 + phval6
  lo to LBLF2 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * 90"
      MCWRK ip10 + phval10
      "d10=d10orig + t2loop * in10 "
      "phval4 = (ph2loop % 4) * 90"
      MCWRK ip4 + phval4
      "phval6 = (ph2loop % 4) * 90"
      MCWRK ip6 + phval6
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * 90"
      MCWRK ip10 + phval10
      "d10=d10orig + t2loop * in10 "
      "phval4 = (ph2loop % 4) * 90"
      MCWRK ip4 + phval4
      "phval6 = (ph2loop % 4) * 90"
      MCWRK ip6 + phval6
  lo to LBLF1 times 2
  MCWRK 

  "t2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * 90"
      MCWRK ip10 + phval10
      "d10=d10orig + t2loop * in10 "
      "phval4 = (ph2loop % 4) * 90"
      MCWRK ip4 + phval4
      "phval6 = (ph2loop % 4) * 90"
      MCWRK ip6 + phval6
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK rf #0
  lo to LBLAV times tdav
# 142 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
exit 
  
ph0=0
ph1=1
ph2=2
ph3=3
# 149 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
ph10=0
ph11=(8) 1 1 5 5
ph4=0 2
ph5=1 1 3 3
ph6=0
ph7=2
ph8=2
ph9=0 0 2 2 
ph31=0 2 2 0

;cnst9 : 1 for 135/-180, 2 for 225/-360 phase correction
;sp2: 44.25 dB power for 5 ms 90 deg. Gaussian pulse
;spnam2: gaus5.100.go
;p11 :  f1 channel - 90 degree shaped pulse (1 ms)
;sp1: 31.5 dB f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;cnst4: = J(NH)
;pl0=120 dB
;d16: gradient recovery delay
;spnam3: Crp80,0.5,20.1 0.5m adiab. 180(C) pulse
;sp3: adiab. 180(C) 
;cnst10 : 1 or 2 for 90/-180 or 180/-360 phase correction
;d8 : mixing time
;pl0 : 120dB
;pl1 : f1 channel - power level for pulse (default)
;pl2 : 120 dB f2 channel - power level for pulse (not used)
;pl3 : f3 channel - power level for pulse (default)
;p14:  180 degree carbon 500us adiabatic pulse 
;pl16: f3 channel - power level for CPD/BB decoupling (220@9.6dB fro cryoprobe)
;sp1: f1 channel - shaped pulse  90 degree
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p11: f1 channel -  90 degree shaped pulse
;p16: homospoil/gradient pulse
;p21: f3 channel -  90 degree high power pulse(41@-5dB for cryoprobe)
;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]
;d12: delay for power switching                      [20 usec]
;d26 : 1/(4J)YH
;cnst4: = J(YH)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 4 * n
;DS: 16
;td1: number of experiments
;FnMODE: States-TPPI, TPPI, States or QSEC
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence

# 201 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
;use gradient ratio:    gp 1 : gp 2 : gp 3
;                         80 :  -50 :   30

;for z-only gradients:
;gpz0: 2%
;gpz1: 18%
;gpz2: 22%
;gpz3: 35%

;use gradient files:   
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
# 215 "/opt/topspin/exp/stan/nmr/lists/pp/user/noesyNhsqcwgCdec5.go"
;1: for C-13 and N-15 labeled samples start experiment with option -DLABEL_CN (eda: ZGOPTNS) preprocessor-flags-end
;$Id: $
