# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
;hsqcdietgpsisp.2
;avance-version (10/02/12)
;HSQC-TOCSY
;2D H-1/X correlation via double inept transfer
; using sensitivity improvement and DIPSI2
; for homonuclear Hartman-Hahn mixing
;phase sensitive using Echo/Antiecho-TPPI gradient selection
;with decoupling during acquisition - using f2
;using trim pulses in inept transfer
;using shaped pulses for all 180degree pulses on f2 - channel
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
;$RECOMMEND=y
# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
; for AV III
;
;avance-version (07/12/14)
;
;$CLASS=HighRes Incl
;$COMMENT=
# 165 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.9 2009/07/02 16:40:43 ber Exp $
# 20 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2" 2
# 1 "/opt/topspin3.0/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=
# 27 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>
# 31 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 21 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2" 2
# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl - include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=
# 9 "/opt/topspin3.0/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 TAU
define delay TAU1
define delay TAU2
define delay TAU3
define delay TAU4
define delay TAU5
# 29 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;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
# 48 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;loop counters
define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3
# 58 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 22 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2" 2
# 26 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
"p2=p1*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d0=3u"
# 33 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
"in0=inf1/2"
"FACTOR1=(d9/(p6*115.112))/2"
"l1=FACTOR1*2"
# 40 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
"DELTA=p16+d16+p2+d0*2-4u"
"DELTA1=p16+d16+8u"
"DELTA2=d4-larger(p2,p14)/2-4u"
"DELTA3=d24-cnst17*p24/2-4u"
# 1 "mc_line 46 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2 exp. def. part of mc cmd. before ze"
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 = td1/(2)"
"MCWRK = 0.076923*d1"
"MCREST = d1 - d1"
dccorr
# 46 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
1 ze
# 1 "mc_line 46 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2 exp. def. of mc cmd. after ze"
# 47 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
d11 pl12:f2
# 1 "mc_line 48 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2 exp. start label for mc cmd."
2 MCWRK * 6 do:f2
LBLF1, MCWRK * 6
LBLST1, MCWRK
MCREST
# 49 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
10u pl2:f2
# 51 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
3 (p1 ph1)
DELTA2 pl0:f2
4u
(center (p2 ph1) (p14:sp3 ph6):f2 )
4u
DELTA2 pl2:f2 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
p28 ph1
4u
(p1 ph2)
(p3 ph3):f2
d0
(p2 ph7)
d0
p16:gp1*EA
d16 pl0:f2
(p24:sp7 ph4):f2
4u
DELTA pl2:f2
(center (p1 ph1) (p3 ph4):f2 )
4u
DELTA3 pl0:f2
(center (p2 ph1) (p24:sp7 ph1):f2 )
4u
DELTA3 pl2:f2
(center (p1 ph2) (p3 ph5):f2 )
4u
DELTA2 pl0:f2
(center (p2 ph1) (p14:sp3 ph1):f2 )
4u
DELTA2 pl10:f1
;begin DIPSI2
4 p6*3.556 ph22
p6*4.556 ph24
p6*3.222 ph22
p6*3.167 ph24
p6*0.333 ph22
p6*2.722 ph24
p6*4.167 ph22
p6*2.944 ph24
p6*4.111 ph22
p6*3.556 ph24
p6*4.556 ph22
p6*3.222 ph24
p6*3.167 ph22
p6*0.333 ph24
p6*2.722 ph22
p6*4.167 ph24
p6*2.944 ph22
p6*4.111 ph24
p6*3.556 ph24
p6*4.556 ph22
p6*3.222 ph24
p6*3.167 ph22
p6*0.333 ph24
p6*2.722 ph22
p6*4.167 ph24
p6*2.944 ph22
p6*4.111 ph24
# 114 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
p6*3.556 ph22
p6*4.556 ph24
p6*3.222 ph22
p6*3.167 ph24
p6*0.333 ph22
p6*2.722 ph24
p6*4.167 ph22
p6*2.944 ph24
p6*4.111 ph22
lo to 4 times l1
;end DIPSI2
4u pl1:f1
(p1 ph1)
DELTA1
(p2 ph1)
4u
p16:gp2
d16 pl12:f2
4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
go=2 ph31 cpd2:f2
# 1 "mc_line 135 file /opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2 exp. mc cmd. in line"
MCWRK do:f2 wr #0 if #0 zd
"ph1loop+=1"
"d0=d0orig + t1loop * in0 "
"phval5 = (ph1loop % 2) * 180"
MCWRK ip5 + phval5
"phval3 = (t1loop * 180)%360"
MCWRK ip3 + phval3
"phval6 = (t1loop * 180)%360"
MCWRK ip6 + phval6
"phval31 = (t1loop * 180)%360"
MCWRK ip31 + phval31
"phval0 = ph1loop * 1"
MCWRK setgrad EA
lo to LBLF1 times 2
MCWRK
"t1loop+=1"
"d0=d0orig + t1loop * in0 "
"phval5 = (ph1loop % 2) * 180"
MCWRK ip5 + phval5
"phval3 = (t1loop * 180)%360"
MCWRK ip3 + phval3
"phval6 = (t1loop * 180)%360"
MCWRK ip6 + phval6
"phval31 = (t1loop * 180)%360"
MCWRK ip31 + phval31
"phval0 = ph1loop * 1"
MCWRK setgrad EA
lo to LBLST1 times ST1CNT
MCWRK
"t1loop=0"
"ph1loop=0"
MCWRK
# 137 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
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
ph22=3
ph24=1
ph31=0 2 2 0
# 152 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl10: f1 channel - power level for TOCSY-spinlock
;pl12: f2 channel - power level for CPD/BB decoupling
;sp3: f2 channel - shaped pulse (180degree inversion)
;spnam3: Crp60,0.5,20.1
;sp7: f2 channel - shaped pulse (180degree refocussing)
;spnam7: Crp60comp.4
;p1 : f1 channel - 90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel - 90 degree high power pulse
;p6 : f1 channel - 90 degree low power pulse
;p14: f2 channel - 180 degree shaped pulse for inversion
; = 500usec for Crp60,0.5,20.1
;p16: homospoil/gradient pulse [1 msec]
;p24: f2 channel - 180 degree shaped pulse for refocussing
; = 2msec for Crp60comp.4
;p28: f1 channel - trim pulse [1 msec]
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(XH))
;d9 : TOCSY mixing time
;d11: delay for disk I/O [30 msec]
;d16: delay for homospoil/gradient recovery
;d24: 1/(8J)XH for all multiplicities
; 1/(4J)XH for XH
;cnst2: = J(XH)
;cnst17: = -0.5 for Crp60comp.4
;l1: loop for DIPSI cycle: ((p6*115.112) * l1) = mixing time
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 1 * n
;DS: >= 16
;td1: number of experiments
;FnMODE: echo-antiecho
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 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
# 197 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
;for z-only gradients:
;gpz1: 80%
;gpz2: 20.1% for C-13, 8.1% for N-15
;use gradient files:
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
# 206 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
;cnst17: Factor to compensate for coupling evolution during a pulse
; (usually +1). A positive factor indicates that coupling
; evolution continues during the pulse, whereas a negative
; factor is necessary if the coupling is (partially) refocussed.
# 213 "/opt/topspin3.0/exp/stan/nmr/lists/pp/hsqcdietgpsisp.2"
;$Id: hsqcdietgpsisp.2,v 1.5.2.3 2010/02/12 15:14:18 ber Exp $