# 1 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
;b_trosyetf3gpsi.3.cw
;avance-version (21/09/15)
;best-TROSY
;2D H-1/X correlation via TROSY
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho 
;using f3 - channel
;using shaped pulses for inversion and refocussing on f3
;uncompensated version d25=d26
;with additional 180degree pulse on N-15
;(use parameterset B_TROSYETF3GPSI)
;
;Z. Solyom, M. Schwarten, L. Geist, R. Konrat D. Willbold &
;   Bernhard Brutscher, J. Biomol. NMR 55, 311-321 (2013)
;A. Favier & B. Brutscher, J. Biomol. NMR 49, 9-15 (2011)
;(E. Lescop, P. Schanda & B. Brutscher,
;   J. Magn. Reson.  187 163-169 (2007))
;(T. Schulte-Herbrueggen & O.W. Sorensen, J. Magn. Reson. 144, 
;   123 - 128 (2000))
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>
# 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 $
# 31 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw" 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 $
# 32 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw" 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 $
# 33 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw" 2


# 36 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
define list<gradient> EA3 = { 1.0000 0.8750 }
define list<gradient> EA5 = { 0.6667 1.0000 }
define list<gradient> EA7 = { 1.0000 0.6595 }


"d11=30m"
# 43 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"d25=2.7m"
"d26=2.7m"

"p19=500u"
"p29=250u"
"d16=200u"

# 55 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"cnst19=8.2"


"p41=1958*950.45/bf1" 
"spw25=plw1*(pow((p1/p41)/0.125,2))" 
"spoffs25=bf1*(cnst19/1000000)-o1"  
"spoal25=1"
"spw27=plw1*(pow((p1/p41)/0.125,2))" 
"spoffs27=bf1*(cnst19/1000000)-o1"  
"spoal27=0"
"cnst41=0.529"
# 68 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"p42=1434*700.2/bf1" 
"spw26=plw1*(pow((p1*2/p42)/0.0798,2))"   
"spoffs26=bf1*(cnst19/1000000)-o1" 
"spoal26=0.5"


"p43=1251*950.45/bf1" 
"spw28=plw1*(pow((p1/p43)/0.06103,2))" 
"spoffs28=bf1*(cnst19/1000000)-o1"  
"spoal28=1"
"spw29=plw1*(pow((p1/p43)/0.06103,2))" 
"spoffs29=bf1*(cnst19/1000000)-o1"  
"spoal29=0"
"cnst43=0.69"
# 85 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"d0=3u"

"in0=inf1/2"

# 90 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"DELTA1=d26-p29-d16-larger(p56,p42)/2-p41*cnst41"
"DELTA6=d25-p29-d16-larger(p56,p42)/2-p43*cnst43"
"DELTA7=d26-p16-d16-larger(p57,p42)/2"
"DELTA8=de+4u"


# 98 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"DELTA=d0*2+p21*4/PI+de+4u"


# 102 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"spoffs13=bf2*(cnst26/1000000)-o2"

"spoffs39=0"
"spoffs40=0"

# 108 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
"acqt0=0"
baseopt_echo


# 1 "mc_line 112 file /home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw 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 = 0.043478*3m"

    dccorr
# 112 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
1 d11 ze
# 1 "mc_line 112 file /home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw exp. def. of mc cmd. after ze"
LBLAV, MCWRK
      "d0=d0orig + t1loop * in0 "
      "phval6 = (ph1loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval7 = (ph1loop % 2) * 180"
      MCWRK ip7 + phval7
      "phval5 = (t1loop * 180)%360"
      MCWRK ip5 + phval5
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA3
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA5
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA7
# 113 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
# 1 "mc_line 113 file /home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw exp. start label for mc cmd."
2 MCWRK  * 11
LBLF1, MCWRK  * 11
LBLST1, MCWRK
  MCREST
# 114 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
  
  (p56:sp39 ph1):f3
  d1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
# 119 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
  (p41:sp25 ph1)
  p29:gp1
  d16
  DELTA1
  (center (p42:sp26 ph1) (p56:sp39 ph1):f3 )
  DELTA1
  p29:gp1
  d16
  (p41:sp27 ph2):f1

  p29:gp2
  d16 pl3:f3

  (p21 ph5):f3
  d0
# 140 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
  d0
  (p56:sp39 ph1):f3
  DELTA

  p19:gp3*EA3
  d16

  (p43:sp29 ph6)
  p29:gp4
  d16
  DELTA6
  (center (p42:sp26 ph1) (p56:sp39 ph1):f3 )
  DELTA6
  p29:gp4
  d16
  (p43:sp28 ph1)
# 157 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
  p19:gp5*EA5
  d16 pl3:f3
  DELTA8

  (p21 ph2):f3
  p16:gp6
  d16
  DELTA7
  (center (p42:sp26 ph1) (p57:sp40 ph1):f3 )
  DELTA7
  p16:gp6
  d16 pl3:f3
  (p21 ph7:r):f3

  p19:gp7*EA7
  d16
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
# 175 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
  go=2 ph31
# 1 "mc_line 176 file /home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw exp. mc cmd. in line"
  MCWRK  wr #0 if #0 zd 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval6 = (ph1loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval7 = (ph1loop % 2) * 180"
      MCWRK ip7 + phval7
      "phval5 = (t1loop * 180)%360"
      MCWRK ip5 + phval5
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA3
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA5
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA7
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval6 = (ph1loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval7 = (ph1loop % 2) * 180"
      MCWRK ip7 + phval7
      "phval5 = (t1loop * 180)%360"
      MCWRK ip5 + phval5
      "phval31 = (t1loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA3
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA5
      MCWRK
      "phval0 = ph1loop * 1"
      MCWRK setgrad EA7
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK rf #0
  lo to LBLAV times tdav
# 178 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
exit


ph1=0
ph2=1 
ph3=2
ph4=3
ph5=0 2
ph6=3
ph7=2
ph31=0 2
# 191 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;sp13: f2 channel - shaped pulse 180 degree (Ca and C=O, adiabatic)
;sp25: f1 channel - shaped pulse  90 degree (Pc9_4_90.1000)
;spnam25: Pc9_4_90.100
;sp26: f1 channel - shaped pulse 180 degree (Reburp.1000)
;spnam26: Reburp.1000
;sp27: f1 channel - shaped pulse  90 degree (Pc9_4_90.1000)
;                   for time reversed pulse
;spnam27: Pc9_4_90.1000
;sp28: f1 channel - shaped pulse  90 degree (Eburp2.1000)
;spnam28: Eburp2.1000
;sp29: f1 channel - shaped pulse  90 degree (Eburp2tr.1000)
;                   for time reversed pulse
;spnam29: Eburp2tr.1000
;sp39: f3 channel - shaped pulse 180 degree (Bip720,50,20.1)
;spnam39: Bip720,50,20.1
;sp40: f3 channel - shaped pulse 180 degree (Reburp.1000)
;spnam40: Reburp.1000
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p29: gradient pulse 3                                 [250 usec]
;p41: f1 channel -  90 degree shaped pulse for excitation
;                      Pc9_4_90.1000             (2.2ms at 600.13 MHz)
;p42: f1 channel - 180 degree shaped pulse for refocussing
;                      Reburp.1000               (1.4ms at 600.13 MHz)
;p43: f1 channel -  90 degree shaped pulse for excitation
;                      Eburp2.1000/Eburp2tr.1000 (1.7ms at 600.13 MHz)
;p56: f3 channel - 180 degree shaped pulse for inversion
;                      Bip720,50,20.1            (500us at 600.13 MHz)
;p57: f3 channel - 180 degree shaped pulse for refocussing
;                      Reburp.1000               (1.6ms at 600.13 MHz)
;p42: f1 channel - 180 degree shaped pulse for refocussing
;                      Reburp.1000               (2.0ms at 600.13 MHz)
;p43: f1 channel -  90 degree shaped pulse for excitation
;                      Eburp2.1000/Eburp2tr.1000 (1.92ms at 600.13 MHz)
;p56: f3 channel - 180 degree shaped pulse for inversion
;p57: f3 channel - 180 degree shaped pulse for refocussing
;d0 : incremented delay (F1)                           [3 usec]
;d1 : relaxation delay; 1-5 * T1 [100-500 msec]
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d25: 1/(4J'(NH)                                       [2.7 msec]
;d26: 1/(4J(NH)                                        [2.7 msec]
;cnst26: Call chemical shift (offset, in ppm)          [101 ppm]
;cnst41: compensation of chemical shift evolution during p41
;           Pc9_4_90.1000: 0.529
;cnst43: compensation of chemical shift evolution during p43
;           Eburp2.1000: 0.69
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(N)) = DW(N)
;nd0: 2
;ns: 2 * n
;ds: >= 16
;td1: number of experiments
;FnMODE: echo-antiecho


;for z-only gradients:
;gpz1: 2%
;gpz2: 21%
;gpz3: -80%
;gpz4: 5%
;gpz5: 30%
;gpz6: 45%
;gpz7: 30.13%
# 260 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
;use gradient files:   
;gpnam1: SMSQ10.32
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.32
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100


# 271 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end
										  

										  

# 280 "/home/waudbyc/pp_702/b_trosyetf3gpsi.3.cw"
										  
;$Id: $
