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b_trosy_hmqc.cw
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b_trosy_hmqc.cw
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;BEST-TROSY-HMQC
;Chris Waudby, Aug 2019
;
;options:
; -DONE_D = first-row
; -DOFFRES_PRESAT = presat, pl9 on cnst21 (Hz bf)
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
"d11=30m"
"d12=20u"
"d13=4u"
"d21=1s/(cnst4*4)"
"p22=p21*2"
"in0=inf1"
# ifdef ONE_D
"d0=2u"
#else
"d0=in0/2-p21*4/3.1415"
# endif /*ONE_D*/
"d2=p39-p39*cnst39-0.3633*p21"
"d3=0.5*p40-0.3633*p21"
"DELTA1=d21-p39*cnst39-p40*0.5-p16-d16-4u"
"DELTA2=d21-0.3633*p21-p16-d16-4u-0.5*p40"
"DELTA3=d21-p40-p16-d16-4u"
"DELTA4=d21-0.5*p40-p16-d16-4u-p21-de"
"acqt0=de"
#ifdef LABEL_CN
"d10=DELTA3+d3+p21+d0*0.5-p8*0.5"
"d9=DELTA3+d3+p21+d0*0.5-p8*0.5"
"in10=in0*0.5"
"in9=in0*0.5"
#endif
# ifdef OFFRES_PRESAT
"TAU=d1-d11-60u-d12*2-d13-d12-50u-p21-2*p16-2*d16-12u"
# else
"TAU=d1-d11-d12-50u-p21-2*p16-2*d16-12u"
# endif /*OFFRES_PRESAT*/
;"spoff23=bf1*(cnst19/1000000)-o1"
;"spoff24=bf1*(cnst19/1000000)-o1"
"spoff23=0" ; for amides on-resonance (recommended)
"spoff24=0"
"l0=1" ; loop counter for shifting 1H 180 pulse between echo/anti-echoes
1 ze
d11
2 d11
4u UNBLKGRAD
p16:gp3
d16
4u BLKGRAD
# ifdef OFFRES_PRESAT
30u fq=cnst21(bf hz):f1
d12 pl9:f1
TAU cw:f1 ph1
d13 do:f1
d12 pl1:f1
30u fq=0:f1
# else
TAU
# endif /*OFFRES_PRESAT*/
3 d12 pl3:f3
50u UNBLKGRAD
; purge Nz
(p21 ph1):f3
4u
p16:gp0
d16
; begin main sequence
if "l0 %2 == 1"
{
; echo
(p39:sp23 ph10) (d2 p21 ph11):f3
DELTA1
4u
p16:gp1
d16
(center (p40:sp24 ph1) (p22 ph11):f3 )
4u
p16:gp1
d16
(center (p40:sp24 ph1):f1 (DELTA2 p21 ph12 d0 p21 ph13 DELTA2):f3 )
4u
p16:gp2
d16
(center (p40:sp24 ph1) (p22 ph13):f3 )
4u
p16:gp2
d16
DELTA4 BLKGRAD
(p21 ph14):f3
}
else
{
; anti-echo
(p39:sp23 ph10) (d2 p21 ph21):f3
DELTA1
4u
p16:gp1
d16
(center (p40:sp24 ph1) (p22 ph21):f3 )
4u
p16:gp1
d16
(center (p40:sp24 ph1):f1 (DELTA2 p21 ph22 d0 p21 ph23 DELTA2):f3 )
4u
p16:gp2
d16
(center (p40:sp24 ph1) (p22 ph23):f3 )
4u
p16:gp2
d16
DELTA4 BLKGRAD
(p21 ph24):f3
}
go=2 ph31
d11 mc #0 to 2
F1EA(iu0, id0)
exit
ph1=0
ph10=0
;spin dynamic phases:
;ph11=0 1 2 3 3 0 1 2 2 3 0 1 1 2 3 0
;ph12=1 2 3 0 0 1 2 3 3 0 1 2 2 3 0 1
;ph13=0 1 2 3
;ph14=1 2 3 0
;ph21=0 1 2 3 1 2 3 0 2 3 0 1 3 0 1 2
;ph22=3 0 1 2 0 1 2 3 1 2 3 0 2 3 0 1
;ph23=0 1 2 3
;ph24=3 0 1 2
;bruker phases:
ph11=0 1 2 3
ph12=1 0 3 2
ph13=0
ph14=3
ph21=0 3 2 1
ph22=3 0 1 2
ph23=0
ph24=1
ph31=0 1 2 3
;pl3 : f3 channel - power level for pulse (default)
;pl26: f3 channel - power level for CPD/BB decoupling (low power)
;sp23: f1 channel - shaped pulse 120 degree
; (Pc9_4_120.1000 or Q5.1000)
;sp24: f1 channel - shaped pulse 180 degree (Rsnob.1000)
;p16: homospoil/gradient pulse [1 msec]
;p21: f3 channel - 90 degree high power pulse
;p39: f1 channel - 120 degree shaped pulse for excitation
; Pc9_4_120.1000 (120o) (3.0ms at 600.13 MHz)
; (or Q5.1000 (90o) (2.0ms at 600.13 MHz) )
;p40: f1 channel - 180 degree shaped pulse for refocussing
; Rsnob.1000 (1.0ms at 600.13 MHz)
;d0 : incremented delay (2D) = in0/2-p21*4/3.1415
;d1 : relaxation delay
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d16: delay for homospoil/gradient recovery
;d21 : 1/(4J)NH
;cnst4: = J(NH)
;cnst19: H(N) chemical shift (offset, in ppm)
;cnst39: compensation of chemical shift evolution during p39
; Pc9_4_90.1000: 0.514
; Pc9_4_120.1000: 0.529
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/ SW(N) = 2 * DW(N)
;nd0: 1
;NS: 4 * n
;DS: 16
;td1: number of experiments
;FnMODE: Echo-AntiEcho
;use gradient ratio: gp 0 : gp 1 : gp 2
; -16 : 11 : 7
;for z-only gradients:
;gpz0: -16%
;gpz1: 11%
;gpz2: 7%
;gpz3: -23%
;use gradient files:
;gpnam0: SMSQ10.100
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;Processing
;PHC0(F1): 90
;PHC1(F1): -180
;FCOR(F1): 1