# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom"
;hcchdigp3d
;avance-version (08/06/03)
;HCCH-TOCSY
;3D sequence with
;   inverse correlation using multiple inept transfer and
;      C-C DIPSI3 spinlock
;
;      F1(H,t1) -> F2(C,t2) -> F2(C') -> F1(H',t3)
;
;off resonance C=O pulse using shaped pulse
;phase sensitive (t1)
;phase sensitive (t2)
;spinlock during z-filter
;(use parameterset HCCHDIGP3D)
;
;(L.E. Kay, G.Y. Xu, A.U. Singer, D.R. Muhandiram & J. D. Forman-Kay
;   J. Magn. Reson. B 101, 333 - 337 (1993))
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>


# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=





































































































































;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $
# 29 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom" 2

# 1 "/opt/topspin2.1/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=



















define list<gradient> EA=<EA>



;$Id: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $
# 30 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom" 2

# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=


;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


;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


;loop counters

define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3



;$Id: Delay.incl,v 1.12 2005/11/10 12:16:58 ber Exp $
# 31 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom" 2



"p2=p1*2"
"p4=p3*2"
"p22=p21*2"
"d11=30m"
"d12=20u"

"d4=1.56m"			;tau a
"d21=1.04m"			;tau c
"d23=475u"			;tau b


"p16=500u"
"p19=2m"
"p29=300u"
"p30=5m"
"p31=4.4m"

"d16=150u"


"d0=3u"
"d10=3u"

"in0=inf1/2"
"in10=inf2/2"


"DELTA1=d4-p16-d16-4u"
"DELTA2=d4-p16-d16-4u+d0*2+p4"
"DELTA3=d23-p29-d16"
"DELTA4=p22+p2+d10*2+4u"
"DELTA5=d21-p16-d16-4u"
"DELTA6=d4-p16-d16-p3*2-7u+p1"


"d31=(p9*54.33*4)*l1"


"spoff5=bf2*(cnst21/1000000)-o2"


aqseq 312


# 1 "mc_line 78 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) States-TPPI (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td2 / (2)"
define loopcounter ST2CNT
"ST2CNT = td1 / (2)"
"MCWRK = 0.125000*d11"
"MCREST = d11 - d11"
    dccorr
# 78 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom"
1 d11 ze
# 1 "mc_line 78 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom expanding definition of mc command after ze"
# 79 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom"
  d31 pl12:f2
# 1 "mc_line 80 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom expanding start label for mc command"
2 MCWRK  do:f2
LBLSTS2, MCWRK  * 2
LBLF2, MCWRK  * 3
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 81 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom"
3 d1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  d12 pl1:f1

  (p1 ph3)
  4u
  p16:gp1
  d16
  DELTA1 pl2:f2
  d0
  (p4 ph1):f2
  d0
  (p2 ph1)
  4u
  p16:gp1
  d16
  DELTA2 pl3:f3
  (p1 ph2)

  p19:gp3
  d16

  (p3 ph4):f2
  d10
  (p22 ph1):f3
  4u
  p29:gp2
  d16
  p29:gp2
  d16
  p2 ph1
  d10
  (p4 ph1):f2
  DELTA4
  p29:gp2
  d16
  p29:gp2
  d16
  (p3 ph2):f2
  4u
  d12 pl15:f2
						;begin DIPSI3
9 (p9*2.722 ph7):f2
  (p9*4.389 ph9):f2
  (p9*2.778 ph7):f2
  (p9*3.056 ph9):f2
  (p9*0.333 ph7):f2
  (p9*2.556 ph9):f2
  (p9*4.000 ph7):f2
  (p9*2.722 ph9):f2
  (p9*4.111 ph7):f2
  (p9*3.778 ph9):f2
  (p9*3.889 ph7):f2
  (p9*2.889 ph9):f2
  (p9*3.000 ph7):f2
  (p9*0.333 ph9):f2
  (p9*2.500 ph7):f2
  (p9*4.050 ph9):f2
  (p9*2.830 ph7):f2
  (p9*4.389 ph9):f2
  (p9*2.722 ph9):f2
  (p9*4.389 ph7):f2
  (p9*2.778 ph9):f2
  (p9*3.056 ph7):f2
  (p9*0.333 ph9):f2
  (p9*2.556 ph7):f2
  (p9*4.000 ph9):f2
  (p9*2.722 ph7):f2
  (p9*4.111 ph9):f2
  (p9*3.778 ph7):f2
  (p9*3.889 ph9):f2
  (p9*2.889 ph7):f2
  (p9*3.000 ph9):f2
  (p9*0.333 ph7):f2
  (p9*2.500 ph9):f2
  (p9*4.050 ph7):f2
  (p9*2.830 ph9):f2
  (p9*4.389 ph7):f2
  (p9*2.722 ph9):f2
  (p9*4.389 ph7):f2
  (p9*2.778 ph9):f2
  (p9*3.056 ph7):f2
  (p9*0.333 ph9):f2
  (p9*2.556 ph7):f2
  (p9*4.000 ph9):f2
  (p9*2.722 ph7):f2
  (p9*4.111 ph9):f2
  (p9*3.778 ph7):f2
  (p9*3.889 ph9):f2
  (p9*2.889 ph7):f2
  (p9*3.000 ph9):f2
  (p9*0.333 ph7):f2
  (p9*2.500 ph9):f2
  (p9*4.050 ph7):f2
  (p9*2.830 ph9):f2
  (p9*4.389 ph7):f2
  (p9*2.722 ph7):f2
  (p9*4.389 ph9):f2
  (p9*2.778 ph7):f2
  (p9*3.056 ph9):f2
  (p9*0.333 ph7):f2
  (p9*2.556 ph9):f2
  (p9*4.000 ph7):f2
  (p9*2.722 ph9):f2
  (p9*4.111 ph7):f2
  (p9*3.778 ph9):f2
  (p9*3.889 ph7):f2
  (p9*2.889 ph9):f2
  (p9*3.000 ph7):f2
  (p9*0.333 ph9):f2
  (p9*2.500 ph7):f2
  (p9*4.050 ph9):f2
  (p9*2.830 ph7):f2
  (p9*4.389 ph9):f2
  lo to 9 times l1
						;end DIPSI3
  d12 pl10:f1
  (p17 ph1)
  (p17*2 ph2)
  4u
  p30:gp4
  d16 pl1:f1
  (p1 ph1)
  4u
  p31:gp4
  d16 pl2:f2

  (p3 ph2):f2
  4u
  p16:gp1
  d16
  DELTA5
  (center (p2 ph1) (p4 ph1):f2 )
  4u
  p16:gp1
  d16
  DELTA5
  (center (p1 ph1) (p3 ph1):f2 )

  4u
  p16:gp1
  d16
  DELTA1
  (center (p2 ph1) (p4 ph1):f2 )
  4u
  p16:gp1
  d16
  DELTA6 
  (center (p1 ph1) (p3 ph1 3u p3 ph5):f2 )
  4u pl12:f2 
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd2:f2
# 1 "mc_line 233 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom expanding mc command in line"
  MCWRK  do:f2 wr #0 if #0 zd ip3
  lo to LBLSTS2 times 2
  MCWRK id0  MCWRK  dp3
  lo to LBLF2 times ST2CNT
  MCWRK rd0  MCWRK  rp3  MCWRK  ip4
  lo to LBLSTS1 times 2
  MCWRK id10
  lo to LBLF1 times ST1CNT
  MCWRK
# 236 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hcchdigp3d_arom"
exit


ph1=0
ph2=1
ph3=0 2
ph4=0 0 2 2
ph5=0 0 0 0 2 2 2 2
ph7=1
ph9=3
ph31=0 2 2 0


;pl0 : 120dB
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl10: f1 channel - power level for TOCSY-spinlock (trim pulse)
;pl12: f2 channel - power level for CPD/BB decoupling
;pl15: f2 channel - power level for TOCSY-spinlock
;sp5: f2 channel - shaped pulse 180 degree   (C=O off resonance)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p4 : f2 channel - 180 degree high power pulse
;p9 : f2 channel -  90 degree low power pulse
;p14: f2 channel - 180 degree shaped pulse
;p16: homospoil/gradient pulse                         [500 usec]
;p17: f1 channel - trim pulse                          [2.5 msec]
;p19: gradient pulse 2                                 [2 msec]
;p22: f3 channel - 180 degree high power pulse
;p29: gradient pulse 3                                 [300 usec]
;p30: gradient pulse 4                                 [5 msec]
;p31: gradient pulse 5                                 [4.4 msec]
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(CH)) - tau a                               [1.6 msec]
;d10: incremented delay (F2 in 3D)                     [3 usec]
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d16: delay for homospoil/gradient recovery
;d21: 1/(6J'(CH)) - tau c                              [1.1 msec]
;d23: tau b                                            [475 usec]
;d31: length of DIPSI-3 cycle as executed = (p9*54.33*4)*l1
;cnst21: CO chemical shift (offset, in ppm)
;cnst23: Caliphatic chemical shift (offset, in ppm)
;o2p: Caliphatic chemical shift (cnst23)
;l1: loop for DIPSI cycle:
;       mixing time = ((p9*54.33*4) * l1)              [12 msec]
;inf1: 1/SW(Hali) = 2 * DW(Hali)
;inf2: 1/SW(C) = 2 * DW(C)
;in0: 1/(2 * SW(Hali)) = DW(Hali)
;nd0: 2
;in10: 1/(2 * SW(C)) = DW(C)
;nd10: 2
;NS: 8 * n
;DS: 32
;td1: number of experiments in F1
;td2: number of experiments in F2
;FnMODE: States-TPPI in F1 (not suitable for TPPI)
;FnMODE: States-TPPI (or TPPI) in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 1 : gp 2 : gp 3 : gp 4
;                         16 :   16 :   30 :   60

;for z-only gradients:
;gpz1: 16%
;gpz2: 16%
;gpz3: 30%
;gpz4: 60%

;use gradient files:
;gpnam1: SINE.50
;gpnam2: SINE.50
;gpnam3: SINE.100
;gpnam4: SINE.100



;Processing

;SR(F1): 1/4 SWH(F1)



;$Id: hcchdigp3d,v 1.15.2.1 2008/06/03 13:18:46 ber Exp $