# 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d"
;mlevhsqcetf3gp3d
;avance-version (05/10/20)
;TOCSY-HSQC
;3D sequence with
;   homonuclear Hartman-Hahn transfer using MLEV17 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 two power levels for excitation and spinlock
;using trim pulses in inept transfer
;with decoupling during acquisition
;(use parameterset MLEVHSQCETF3GP3D)
;
;A. Bax & D.G. Davis, J. Magn. Reson. 65, 355-360 (1985)
;A.L. Davis, J. Keeler, E.D. Laue & D. Moskau, J. Magn. Reson. 98, 
;   207-216 (1992)
;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 et al., Angew. Chem. 114(10), 1518 (1993)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


;$OWNER=Bruker
# 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (06/02/20)
;
;$CLASS=HighRes Incl
;$COMMENT=





















































































































;$Id: pulseprogram,v 1.1 2021/02/11 15:30:27 bmrbsvc Exp $
# 33 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d" 2

# 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for 1
;
;avance-version (06/12/04)
;
;$CLASS=HighRes Incl
;$COMMENT=



















define list<gradient> EA=<EA>



;$Id: pulseprogram,v 1.1 2021/02/11 15:30:27 bmrbsvc Exp $
# 34 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d" 2

# 1 "/opt/topspin2.0/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: pulseprogram,v 1.1 2021/02/11 15:30:27 bmrbsvc Exp $
# 35 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d" 2



"p2=p1*2"
"p5=p6*.667"
"p7=p6*2"
"p22=p21*2"
"d0=3u"
"d10=3u"
"d11=30m"
"d12=20u"
"d13=4u"
"d26=1s/(cnst4*4)"


"SCALEF=p7*2/p5+0.5"
"FACTOR1=((d9-p17*2)/(p6*64+p5))/SCALEF+0.5"
"l1=FACTOR1*SCALEF"


"DELTA2=d26-p16-d13-4u"


"DELTA=larger(p14,p22)+d12+d0*2"
"DELTA1=p16+d16+larger(p2,p14)+d10*2"






aqseq 321


# 1 "mc_line 69 file /opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / (2)"
define loopcounter ST2CNT
"ST2CNT = td2 / (2)"
"MCWRK = 0.083333*d1"
"MCREST = d1 - d1"
    dccorr
# 69 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d"
1 ze
# 1 "mc_line 69 file /opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d expanding definition of mc command after ze"
# 70 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d"
  d11 pl16:f3
# 1 "mc_line 71 file /opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d expanding start label for mc command"
2 MCWRK  do:f3
LBLSTS2, MCWRK  * 4
LBLF2, MCWRK  * 6
LBLSTS1, MCWRK 
LBLF1, MCREST
# 72 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d"
3 d12 pl3:f3
  (p1 ph7)
  DELTA
  (p2 ph8)
  d0


  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )




  d0
  d12 pl10:f1
  (p17 ph26)
						;begin MLEV17
6 (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph22 p7 ph23 p6 ph22)
  (p6 ph24 p7 ph25 p6 ph24)
  (p6 ph24 p7 ph25 p6 ph24)
  (p5 ph23)
  lo to 6 times l1 
						;end MLEV17
  (p17 ph26) 
  d26 pl1:f1
  (center (p2 ph1) (p22 ph6):f3 )
  d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p28 ph1
  d13
  (p1 ph2) (p21 ph3):f3
  d10 


  (center (p2 ph5) (p14:sp3 ph1):f2 )




  d10
  p16:gp1*EA
  d16
  (p22 ph4):f3
  DELTA1
  (ralign (p1 ph1) (p21 ph4):f3 )
  d26
  (center (p2 ph1) (p22 ph1):f3 )
  d13
  p16:gp2
  DELTA2 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 135 file /opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d expanding mc command in line"
  MCWRK  do:f3 wr #0 if #0 zd igrad EA
  lo to LBLSTS2 times 2
  MCWRK id10  MCWRK  ip3*2  MCWRK  ip6*2  MCWRK  ip31*2
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rp3  MCWRK  rp6  MCWRK  rp31  MCWRK  ip7  MCWRK  ip8
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
# 138 "/opt/topspin2.0/exp/stan/nmr/lists/pp/mlevhsqcetf3gp3d"
exit
   

ph1=0 
ph2=1
ph3=0 2
ph4=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph5=0 0 2 2
ph6=0
ph7=0 0 0 0 2 2 2 2
ph8=1 1 1 1 3 3 3 3
ph22=0
ph23=1
ph24=2
ph25=3
ph26=1
ph31=0 2 0 2 2 0 2 0 2 0 2 0 0 2 0 2
 

;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
;sp3: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p5 : f1 channel -  60 degree low power pulse
;p6 : f1 channel -  90 degree low power pulse
;p7 : f1 channel - 180 degree low power pulse
;p14: f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse
;p17: f1 channel - trim pulse                             [2.5 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse
;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
;d26: 1/(4J)YH
;cnst4: = J(YH)
;l1: loop for MLEV cycle: (((p6*64) + p5) * l1) + (p17*2) = mixing time
;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 in F1
;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


;use gradient ratio:    gp 1 : gp 2
;                         80 : 20.1    for C-13
;                         80 :  8.1    for N-15

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

;use gradient files:   
;gpnam1: SINE.100
;gpnam2: SINE.100


                                          ;preprocessor-flags-start
;1: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


;for older datasets use AQORDER : 3 - 2 - 1



;$Id: pulseprogram,v 1.1 2021/02/11 15:30:27 bmrbsvc Exp $