# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp"
;hsqcnoef3gpsi
;avance-version (02/07/15)
;2D H-1/X correlation via double inept transfer
; using sensitivity improvement
;for measuring H1-N15 NOEs
;phase sensitive using Echo/Antiecho-TPPI gradient selection
;with decoupling during acquisition
;using f3 - channel
;recording NOE and NONOE interleaved
;(use parameterset HSQCNOEF3GPSI)
prosol relations=<triple>
# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
; for 1
;
;avance-version (03/02/17)
;$Id: Avance2.incl,v 1.7.2.3 2003/02/25 14:48:48 ber Exp $
# 16 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp" 2
# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl - include file for Gradient Spectroscopy
; for 1
;
;avance-version (02/05/31)
define list<gradient> EA=<EA>
;$Id: Grad2.incl,v 1.7 2002/06/12 09:04:22 ber Exp $
# 17 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp" 2
# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl - include file for commonly used delays
;
;version 00/02/07
;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 1.11 2002/06/12 09:04:22 ber Exp $
# 18 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp" 2
"p2=p1*2"
"p22=p21*2"
"d0=3u"
"d11=30m"
"d12=20u"
"d24=1s/(cnst4*cnst11)"
"d25=1s/(cnst4*cnst12)"
"d26=1s/(cnst4*4)"
"p0=p1*4/3"
"DELTA2=p16+d16+8u"
"DELTA3=d25-p16-d16-4u"
"DELTA1=d25-p16-d16-larger(p2,p8)-d0*2"
"l0=0"
"l4=d1/(p0+5m)"
# 1 "mc_line 56 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp expanding definition part of mc command before ze"
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / (2 * 2)"
"MCWRK = 0.142857*d11"
"MCREST = d11 - d11"
# 56 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp"
1 ze
# 1 "mc_line 56 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp expanding definition of mc command after ze"
# 57 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp"
d11 pl16:f3
# 1 "mc_line 58 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp expanding start label for mc command"
2 MCWRK do:f3
LBLF1I1, MCWRK * 2
LBLSTS1, MCWRK * 4
LBLF1, MCREST
# 59 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp"
3 d12
if "l0 %2 == 1"
{
d1
}
else
{
4 (p0 ph1)
5m
lo to 4 times l4
4u
}
50u setnmr3|0 setnmr0|34|32|33
(p1 ph1)
4u
p16:gp1
d16 pl3:f3
(p21 ph8):f3
4u
p16:gp2*-1*EA
d16
DELTA3
(p22 ph6):f3
d0
(center (p2 ph9) (p8 ph1):f2 )
d0
p16:gp2*EA
d16
DELTA1
(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)
DELTA2
(p2 ph1)
4u
p16:gp3
d16 pl16:f3
4u setnmr3^0 setnmr0^34^32^33
go=2 ph31 cpd3:f3
# 1 "mc_line 114 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp expanding mc command in line"
MCWRK do:f3 wr #0 if #0 zd iu0
lo to LBLF1I1 times 2
MCWRK igrad EA MCWRK ip5*2
lo to LBLSTS1 times 2
MCWRK id0 MCWRK ip6*2 MCWRK ip8*2 MCWRK ip31*2
lo to LBLF1 times ST1CNT
# 117 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hsqcnoef3gpsi.fp"
exit
ph1=0
ph2=1
ph4=0 0 2 2
ph5=3 3 1 1
ph6=0
ph7=3
ph8=1 3
ph9=0 0 2 2
ph31=0 2 2 0
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl16: f3 channel - power level for CPD/BB decoupling
;sp13: f2 channel - shaped pulse 180 degree (Ca and C=O)
;p0 : f1 channel - 120 degree high power pulse
;p1 : f1 channel - 90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse
;p16: homospoil/gradient pulse
;p21: f3 channel - 90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d16: delay for homospoil/gradient recovery
;d24: 1/(4J)YH for YH
; 1/(8J)YH for all multiplicities
;d25: 1/(4J)YH for YH
; 1/(8J)YH for all multiplicities
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;cnst11: for multiplicity selection = 4 for NH, 8 for all multiplicities
;cnst12: for multiplicity selection = 4 for NH, 8 for all multiplicities
;l0: flag to switch between NOE and NONOE
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 1 * n
;DS: >= 16
;td1: total number of experiments
; = number of experiments for each 2D * 2
;FnMODE: echo-antiecho
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence
;use gradient ratio: gp 1 : gp 2 : gp 3
; 50 : 80 : 16.2 for N-15
;for z-only gradients:
;gpz1: 50%
;gpz2: 80%
;gpz3: 16.2%
;use gradient files:
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: 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
;use AU-program splitinvnoe to separate NOE and NONOE data into
; different datasets
;$Id: hsqcnoef3gpsi,v 1.1.2.1 2002/07/16 12:59:36 ber Exp $