# 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
;dipsihsqcf3gpsi3d
;avance-version (12/01/11)
;TOCSY-HSQC
;3D sequence with
;   homonuclear Hartman-Hahn transfer using DIPSI2 sequence
;      for mixing
;   H-1/X correlation via double inept transfer
;      using sensitivity improvement
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2)
;using trim pulses in inept transfer
;using f3 - channel
;(use parameterset DIPSIHSQCF3GPSI3D)
;
;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)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


# 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=
# 169 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.9.8.3 2013/08/30 09:44:49 ber Exp $
# 30 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d" 2

# 1 "/opt/topspin3.2/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/topspin3.2/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13.8.1 2012/01/31 17:56:17 ber Exp $
# 31 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d" 2

# 1 "/opt/topspin3.2/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/topspin3.2/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/topspin3.2/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/topspin3.2/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/topspin3.2/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/topspin3.2/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13.8.2 2013/08/30 09:44:49 ber Exp $
# 32 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d" 2


# 35 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d12=20u"
"d13=4u"
"d26=1s/(cnst4*4)"


"d0=3u"
"d10=3u"
# 46 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
"in0=inf1/2"
"in10=inf2/2"


"DELTA1=d13+p16+d16+4u"
# 53 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
"DELTA=p16+d16+larger(p2,p14)+d10*2"
"DELTA2=larger(p14,p22)+d0*2"


# 61 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
"FACTOR1=(d9/(p6*115.112))/2"
"l1=FACTOR1*2"


aqseq 321
# 1 "mc_line 68 file /opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d exp. def. part of mc cmd. before ze"
; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI  F2->F1
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 = td1 / 2"
define loopcounter ST2CNT
"ST2CNT = td2 / 2"
"MCREST = d11 - d11"
"MCWRK = 0.023810*d11"

    dccorr
# 68 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
# 68 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
1 ze
# 1 "mc_line 68 file /opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d exp. def. of mc cmd. after ze"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "phval29 = (ph1loop % 4) * 90"
      MCWRK ip29 + phval29
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
# 69 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  d11 pl16:f3
# 1 "mc_line 70 file /opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d exp. start label for mc cmd."
2 MCWRK  * 10 do:f3
LBLF2, MCWRK  * 10
LBLST2, MCWRK  * 11
LBLF1, MCWRK  * 10
LBLST1, MCWRK 
  MCREST
# 71 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
3 d12 pl32:f1
  d1 cw:f1 ph29
  4u do:f1
  d12 pl1:f1

  (p1 ph8)
  
  DELTA2 pl3:f3
  (p2 ph9)
  d0

# 83 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )


# 88 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  d0

  (p1 ph10)
  d20 pl10:f1

						;begin DIPSI2
7 p6*3.556 ph23
  p6*4.556 ph25
  p6*3.222 ph23
  p6*3.167 ph25
  p6*0.333 ph23
  p6*2.722 ph25
  p6*4.167 ph23
  p6*2.944 ph25
  p6*4.111 ph23
  
  p6*3.556 ph25
  p6*4.556 ph23
  p6*3.222 ph25
  p6*3.167 ph23
  p6*0.333 ph25
  p6*2.722 ph23
  p6*4.167 ph25
  p6*2.944 ph23
  p6*4.111 ph25
# 114 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  p6*3.556 ph25
  p6*4.556 ph23
  p6*3.222 ph25
  p6*3.167 ph23
  p6*0.333 ph25
  p6*2.722 ph23
  p6*4.167 ph25
  p6*2.944 ph23
  p6*4.111 ph25

  p6*3.556 ph23
  p6*4.556 ph25
  p6*3.222 ph23
  p6*3.167 ph25
  p6*0.333 ph23
  p6*2.722 ph25
  p6*4.167 ph23
  p6*2.944 ph25
  p6*4.111 ph23
  lo to 7 times l1
						;end DIPSI2

  d21 pl1:f1
  (p1 ph11)
# 139 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  d26
  (center (p2 ph1) (p22 ph6):f3 )
  d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p28 ph1
  d13
  (p1 ph2) 
  3u
  p16:gp1
  d16
  (p21 ph3):f3
  d10 


  (center (p2 ph7) (p14:sp3 ph1):f2 )
# 157 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
  d10
  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)
  d13
  p16:gp3
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 178 file /opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "phval29 = (ph1loop % 4) * 90"
      MCWRK ip29 + phval29
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "phval29 = (ph1loop % 4) * 90"
      MCWRK ip29 + phval29
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "phval29 = (ph1loop % 4) * 90"
      MCWRK ip29 + phval29
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "phval29 = (ph1loop % 4) * 90"
      MCWRK ip29 + phval29
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      MCWRK
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 181 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
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
ph8=0 0 0 0 2 2 2 2
ph9=1 1 1 1 3 3 3 3
ph10=2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
     0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
ph11=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph23=1
ph25=3
ph29=0
ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0
     2 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2
  

;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl10: f1 channel - power level for TOCSY-spinlock
;pl16: f3 channel - power level for CPD/BB decoupling
;pl32: f1 channel - power level for low power presaturation
;sp3 : f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p6 : f1 channel -  90 degree low power pulse
;p14: f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse                         [1 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse                          [1 msec]
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d9 : TOCSY mixing time
;d10: incremented delay (F2 in 3D)                     [3 usec]
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d13: short delay                                      [4 usec]
;d16: delay for homospoil/gradient recovery
;d20: first z-filter delay                           [10 usec]
;d21: second z-filter delay                          [10 usec]
;d24: 1/(4J)YH for YH
;     1/(8J)YH for all multiplicities
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;l1: loop for DIPSI cycle: ((p6*115.112) * l1) = mixing time
;inf1: 1/SW(H) = 2 * DW(H)
;inf2: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(H)) = DW(H)
;nd0: 2
;in10: 1/(2 * SW(X)) = DW(X)
;nd10: 2
;ns: 8 * n
;ds: >= 16
;td1: number of experiments
;td2: number of experiments in F2
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: echo-antiecho in F2
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence
# 249 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
;use gradient ratio:    gp 1 : gp 2 : gp 3
;                         50 :   80 :  8.1	for N-15
;                         50 :   80 : 20.1      for C-13

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

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
# 264 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
;set pl32 to 0W when presaturation is not required
;   use 70 - 80dB to reduce radiation damping


                                          ;preprocessor-flags-start
;1: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end
# 275 "/opt/topspin3.2/exp/stan/nmr/lists/pp/dipsihsqcf3gpsi3d"
;$Id: dipsihsqcf3gpsi3d,v 1.8.6.1 2012/01/31 17:56:22 ber Exp $
