/
cest_13Cali_B1cal.cw
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cest_13Cali_B1cal.cw
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;B1 calibration for 13C(aliphatic) CEST
; based on hisqcctetgpsp
; 13C in-phase HSQC
; starting with equilibrium 13Cz magnetisation
;
;avance-version (15/02/27)
;HSQC
;2D H-1/X correlation via double inept transfer
;phase sensitive using Echo/Antiecho-TPPI gradient selection
;with decoupling during acquisition
;constant time version
;using trim pulses in inept transfer
;using shaped pulses for inversion on f2 - channel
;
;(G.W. Vuister & A. Bax, J. Magn. Reson. 98, 428-435 (1992))
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
"p2=p1*2"
"p22=p21*2"
"d3=1s/(cnst2*6)"
"d4=1s/(cnst2*4)"
"d11=30m"
"d12=20u"
"d18=1u"
"in18=inf1" ; nutation time increment
"d20=d2/4-p14/2-p3*0.6366"
"d21=d2/4-p14"
"d22=d2/4-p14"
"d23=d2/4-p14/2-p3*0.6366-d3*2"
"TAU=d3*2-p16-d16-4u"
"DELTA1=d4-larger(p2,p8)/2-p16-de-8u"
"DELTA2=d4-larger(p2,p8)/2-4u-p16-d16"
"DELTA3=d3-larger(p2,p14)/2-4u-p19-d16"
"DELTA4=d4-larger(p2,p8)/2-p1*2/PI-4u-p16-d16"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff13=0"
"acqt0=0"
baseopt_echo
1 ze
d11 pl12:f2 pl3:f3
2 d11 do:f2
4u UNBLKGRAD
; purge equilibrium 1H magnetisation before recycle delay
p16:gp0*0.8
d16
(p1 ph1)
4u
p16:gp0
d16
4u BLKGRAD
; ; temperature compensation
; if "C13sat.idx == 0"
; {
; 4u LOCKH_ON
; 4u pl8:f1
; d18 cpds8:f1
; 4u do:f1
; 4u LOCKH_OFF
; }
; recycle delay
d1
; purge equilibrium 13C magnetisation
4u UNBLKGRAD
4u pl1:f1 pl2:f2
(p3 ph1):f2
4u
p16:gp0
d16
; first INEPT
(p1 ph1)
4u
p16:gp4
d16
DELTA2 pl0:f2
(center (p2 ph1) (p8:sp13 ph6):f2 )
DELTA2 pl2:f2
p16:gp4
d16
(p1 ph2)
; zz-filter
4u
p16:gp3*-0.8
d16
; second INEPT
(p3 ph1):f2
4u
p19:gp4
d16
DELTA3 pl0:f2
(center (p2 ph1) (p14:sp3 ph6):f2 ) ; C(ali) 180
DELTA3 pl2:f2
p19:gp4
d16
4u
(p3 ph2):f2
; z-filter
4u
p16:gp0*1
d16
; CEST
4u pl8:f1 pl18:f2
4u LOCKH_ON
;4u C13sat:f2
4u fq=cnst18(bf ppm):f2
d18 cpds8:f1 cw:f2 ph1
4u do:f1 do:f2
4u LOCKH_OFF
4u fq=0:f2
4u pl1:f1 pl2:f2
; z-filter
4u
p16:gp0*1.1
d16
; CT t1 evolution (with 1H and 15N CPD)
4u pl7:f1 pl16:f3
(p7 ph2):f1
0.1u cpds1:f1 cpds3:f3
(p3 ph3):f2
d20
(p14:sp5 ph1):f2 ; CO 180
d21
(p14:sp3 ph5):f2 ; Cali 180
d22
(p14:sp5 ph1):f2 ; CO 180
d23
TAU do:f1
4u do:f3
p16:gp1*EA
d16 pl1:f1 pl2:f2
(p3 ph4):f2
; zz filter
4u
p16:gp3
d16
(p1 ph1)
; back-transfer
4u
p16:gp5
d16
DELTA4 pl0:f2
(center (p2 ph1) (p8:sp13 ph1):f2 )
4u
p16:gp2
DELTA1 pl12:f2
4u BLKGRAD
; acquisition
go=2 ph31 cpd2:f2
d11 do:f2 mc #0 to 2
F1QF(id18)
;F2EA(calgrad(EA), caldel(d20, -in20) & caldel(d21, -in21) & caldel(d22, +in22) & caldel(d23, +in23) & calph(ph3, +180) & calph(ph31, +180))
exit
ph1=0
ph2=1
ph3=0 2
ph4=0 0 0 0 2 2 2 2
ph5=0 0 2 2
ph6=0
ph31=0 2 0 2 2 0 2 0
;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)
;pl7 : f1 channel - power level for CPD/BB decoupling [8 kHz]
;pl8 : f1 channel - CEST 1H decoupling [4.5 kHz]
;pl12: f2 channel - power level for CPD/BB decoupling
;pl16: f3 channel - power level for CPD/BB decoupling
;pl18: f2 channel - CEST 13C saturation power level
;sp3 : f2 channel - shaped pulse 180 degree (on resonance)
;sp5 : f2 channel - shaped pulse 180 degree (off resonance)
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel - 90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel - 90 degree high power pulse
;p7 : f1 channel - 90 degree CPD decoupling @ pl7 [31.25 usec]
;p11: f1 channel - 90 degree CEST decoupling @ pl8 [55 usec]
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p14: f2 channel - 180 degree shaped pulse
;p16: homospoil/gradient pulse
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse [1 msec]
;d0 : incremented delay (2D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J)XH
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d16: delay for homospoil/gradient recovery
;d18: CEST relaxation/saturation time [300 msec]
;d2: d2 = T : 26.6 or 53.2 msec
; T (constant time period) = n/J(CC)
;cnst2: = J(XH)
;cnst21: CO chemical shift (offset, in ppm)
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;in20: = in0
;nd0: 2
;ns: 4 * n
;ds: 32
;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
;for z-only gradients:
;gpz1: 80%
;gpz2: 30.1% for C-13
;gpz3: 35% (zz filters)
;gpz4: 13% (180 refocusing)
;gpz5: 10% (180 refocusing)
;use gradient files:
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100
;gpnam5: SMSQ10.100
;$Id: hsqcctetgpsp,v 1.8.2.1 2015/03/03 11:21:23 ber Exp $