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Copy pathIBS_CNOESY_aliph_pr.cw
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IBS_CNOESY_aliph_pr.cw
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;3D_NOE_CHSQC_BB
;based on SE 1H-13C HSQC
;with CO decoupling
;with presaturation
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<IBS>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
"p2=p1*2"
"p4=p3*2"
"d4=1s/(cnst2*4)"
"d24=1s/(cnst2*8)"
"d11=30m"
/*******************************************************************/
/* calculation of shaped 13C pulse parameters */
/*******************************************************************/
"cnst22 = (sfo2-bf2)*1000000/bf2" /* CACB frequency offset */
"cnst21 = 173.0" /* CO frequency offset */
"p25=300u" /* BIP pulse length */
"spw25=plw2*(pow((p3*8/p14),2))" /* BIP power level */
"spoffs25=0"
"p14=4.875/(80.0*bf2/1000000)" /* REBURP pulse length */
"spw3=plw2*(pow((p3*1.97/p14)/0.0798,2))" /* REBURP power level */
"spoffs3=0"
"spw7=plw2*(pow((p3*1.97/p14)/0.0798,2))" /* REBURP power level */
"spoffs7=bf2*((cnst21-cnst22)/1000000)" /* shift from CAB to CO */
/*******************************************************************/
"p22=p21*2"
"d0=0"
"in0=inf1/2"
"d10=0"
"in10=inf2/2"
"in20=inf2/2"
"d22=13m"
"d20=d22"
"DELTA=p16+d16+50u+d0*2"
"DELTA1=p16+d16-p1*0.78+de+8u"
"DELTA2=d4-p25*0.5"
"DELTA3=d24-p19-d16"
"DELTA4=d4-p16-d16-p25*0.5"
"DELTA5=d22-p16-d16-50u"
"acqt0=0"
baseopt_echo
aqseq 312
1 ze
d11 pl12:f2
2 d11 do:f2
# ifdef OFFRES_PRESAT
30u fq=cnst21(bf hz):f1
# endif /*OFFRES_PRESAT*/
d12 pl9:f1
d1 cw:f1 ph29
d13 do:f1
d12 pl1:f1
30u fq=0:f1
3 d12
/**************************************/
/* 1H (t1) editing & NOE mixing */
/**************************************/
(p1 ph8:r)
d0
(center (p25:sp25 ph1):f2 (p22 ph1):f3 )
d0
(p2 ph1)
(center (p25:sp25 ph1):f2 (p22 ph1):f3 )
(p1 ph9)
p16:gp6
d16
d8
/**************************************/
/* H-C transfer */
/**************************************/
(p1 ph1)
DELTA2
(center (p2 ph1) (p25:sp25 ph6):f2 )
DELTA2 pl2:f2
(p1 ph2)
p16:gp5
d16
(p3 ph3):f2
/**************************************/
/* 13C editing */
/**************************************/
# ifdef CT
d10
(center (p2 ph1) (p14:sp7 ph1):f2 (p22 ph1):f3 )
DELTA5
50u UNBLKGRAD
p16:gp1*EA
d16 pl2:f2
10u
(p14:sp3 ph4):f2
d20
(p14:sp7 ph1):f2
10u pl2:f2
# else
d10
(center (p2 ph1) (p14:sp7 ph1):f2 (p22 ph1):f3 )
d10
50u UNBLKGRAD
p16:gp1*EA
d16 pl2:f2
(p4 ph4):f2
(p14:sp7 ph1):f2
DELTA pl2:f2
# endif /*CT*/
/**************************************/
/* SE 1H-13C back transfer */
/**************************************/
(center (p1 ph1) (p3 ph4):f2 )
p19:gp3
d16
DELTA3
(center (p2 ph1) (p4 ph1):f2 )
DELTA3
p19:gp3
d16 pl2:f2
(center (p1 ph2) (p3 ph5):f2 )
p16:gp4
d16
DELTA4
(center (p2 ph1) (p25:sp25 ph1):f2 )
DELTA4
p16:gp4
d16
(p1 ph1)
DELTA1
(p2 ph1)
4u
p16:gp2
d16 pl12:f2
4u BLKGRAD
/**************************************/
/* Detection */
/**************************************/
go=2 ph31 cpd2:f2
d11 do:f2 mc #0 to 2
F1PH(calph(ph8, +90), caldel(d0, +in0))
F2EA(calgrad(EA) & calph(ph5, +180), caldel(d10, +in10) &caldel(d20, -in20) & calph(ph3, +180) & calph(ph6, +180) & calph(ph31, +180))
exit
ph1=0
ph2=1
ph3=0 2
ph4=0 0 0 0 2 2 2 2
ph5=1 1 1 1 3 3 3 3
ph6=0
ph8=0 0 2 2
ph9=0
ph29=0
ph31=0 2 2 0 2 0 0 2
;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling
;sp3: f2 channel - shaped pulse 180 degree
;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
;p14: f2 channel - 180 degree shaped pulse for inversion
;p16: homospoil/gradient pulse [1 msec]
;p19: gradient pulse 2 [500 usec]
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J)XH
;d11: delay for disk I/O [30 msec]
;d16: delay for homospoil/gradient recovery
;d22: CT_delay/2 = 1/2JCC
;d24: 1/(8J)XH for all multiplicities
; 1/(4J)XH for XH
;cnst2: = J(XH)
;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 : gp 3 : gp 4
; 80 : 20.1 : 11 : -5 for C-13
; 80 : 8.1 : 11 : -5 for N-15
;for z-only gradients:
;gpz1: 80%
;gpz2: 20.1% for C-13, 8.1% for N-15
;gpz3: 11%
;gpz4: -5%
;use gradient files:
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100