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ch3_mq_cpmg.cw5
210 lines (175 loc) · 3.57 KB
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ch3_mq_cpmg.cw5
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; revised sequence - interleaving works now for 3.5pl7!
#include <Avance.incl>
#include <Grad.incl>
define delay TIME_T2
"TIME_T2 = 40m"
define delay DEL
define delay DEL_2
define loopcounter COUNTER
"COUNTER=1"
"DEL=1s"
"DEL_2=1s"
define delay TAUB
"TAUB = 960u - p24 - 2u"
define delay COMPH
"COMPH = p1"
;define list<loopcounter> ncyc = {0}
;define list<loopcounter> ncyc = {0 1 20}
;define list<loopcounter> ncyc = {0 1 40}
;define list<loopcounter> ncyc = {0 1 2 3 4 5 6 7 8 9 10 12 14 16 18 20 24 28 32 36 40}
;define list<loopcounter> ncyc = {0 1 2 3 4 5 6 7 8 9 10 12 14 16 18 20}
;define list<loopcounter> ncyc = {0 20 1 18 2 16 3 14 4 12 5 10 6 9 7 8}
define list<loopcounter> ncyc = {0 40 1 36 2 32 3 28 4 24 5 20 6 18 7 16 8 14 9 12 10}
;define loopcounter ncyc
;"ncyc = l0" ;"ncyc=0"
;"d3=3.75m - p23 - 2u"
;"d4=3.75m - p23 - 2u - p8"
"d3=4m - p23 - 2u - 0.6366*p1"
"d4=4m - p23 - 2u - p8 - 4u"
"acqt0=0"
"d11=1m"
"d12=1m"
;carbon evolution time
"in0=inf2/2"
"d0=in0*0.5 - p8*0.5 - p1*2 - 2u - p1"
aqseq 312
1 ze
10m st0
2 2u do:f2
3 2u do:f2
4 d11 do:f2
# ifdef OFFRES_PRESAT
30u fq=cnst21(bf hz):f1
# endif /*OFFRES_PRESAT*/
20u pl9:f1
d1 cw:f1 ph29
20u do:f1
if "ncyc==0" goto 71
4u
"DEL = TIME_T2/(4*ncyc) - p8"
4u
"DEL_2 = DEL - p1"
4u
"COUNTER = ncyc - 1"
4u
71 4u
;if "ncyc == 0"
; {
; "DEL = TIME_T2/4 - p8"
; "DEL_1 = DEL - p8*0.63662*0.5"
; "DEL_2 = DEL - p1"
; "COUNTER = 0"
; }
;else
; {
; "DEL = TIME_T2/(4*ncyc) - p8"
; "DEL_1 = TIME_T2/(4*ncyc) - p8 - p8*0.63662*0.5"
; "DEL_2 = DEL - p1"
; "COUNTER = ncyc - 2"
; }
1m UNBLKGRAD
10u pl8:f2
#ifdef FLIPBACKS
10u pl0:f1
(p2:sp2 ph0:r):f1 ; SOLVENT SUPPRESSION FLIP-BACKS
2u pl0:f1
(p8 ph0):f2
2u
p20:gp0
#endif
2.0m pl1:f1
(p1 ph0):f1
2u
p23:gp3
d3
(p8 ph1):f2
2u
p24:gp4
TAUB
(center (p8*2 ph0):f2 (p1*2 ph0):f1)
2u
p24:gp4
TAUB
(p8 ph2):f2
;****** CPMG STARTS HERE **************
if "ncyc==0" goto 72
if "ncyc==1" goto 73
10 DEL
(p8*2 ph5):f2
DEL
lo to 10 times COUNTER
73 DEL
(p8*2 ph5):f2
DEL_2
72 (p1*2 ph3):f1
if "ncyc==0" goto 74
DEL_2
(p8*2 ph5):f2
DEL
if "ncyc==1" goto 75
20 DEL
(p8*2 ph5):f2
DEL
lo to 20 times COUNTER
;****** CPMG ENDS HERE ****************
;****** carbon evolution **************
75 COMPH
d0
(p1 ph0 2u p1*2 ph7 2u p1 ph0):f1
d0
COMPH
goto 76
74 d0
(p1 ph0 2u p1*2 ph7 2u p1 ph0):f1
d0
;****** back to protons ***************
76 (p8 ph4):f2
2u
p23:gp3
d4 pl31:f2
4u BLKGRAD
;start looping experiment
; go=2 ph31 cpd2:f2
; d11 do:f2 mc #0 to 4
; F1QF(ncyc.inc)
;; F2PH(calph(ph4,+90),caldel(d0,+in0))
; F2PH(ip4, id0)
goscnp ph31 cpd2:f2
3m do:f2
3m st ncyc.inc ; nbl = number of CPMG points
lo to 2 times nbl
20u ncyc.res
3m ipp1 ipp2 ipp3 ipp31
lo to 3 times ns ; CPMG innermost loop, then ns
; 1m BLKGRAD
d11 mc #0 to 4
F1QF()
F2PH(calph(ph4, +90) & exec(rppall), caldel(d0,+in0))
1m BLKGRAD
exit
ph0=0
ph1=0 2
ph2=1 1 3 3
ph3=0 0 0 0 1 1 1 1
ph4=0
ph5=1
ph7=1
ph29=0
ph31=0 2 0 2 2 0 2 0
;pl1 : 1H hard 90
;pl8 : 13C hard 90 and CPMG (19 kHz)
;pl31 : 13C decoupling (2 kHz)
;p1 : 1H hard 90
;p2 : 1000 us, water flip-down
;p8 : 13C hard 90 (13.16 us for 19 kHz)
;p20 : purge gradient [1 ms]
;p23 : coherence selection [600 us]
;p24 : coherence selection [200 us]
;sp2 : 1H water flip-down (sinc1.1000)
;spoff2 : place on residual HDO resonance
;cpd2 : 13C decoupling, WALTZ-16
;pcpd2 : 13C decoupling (2 kHz)
;gpz0 : 10%
;gpz3 : 40%
;gpz4 : -40%
;o1p : 1H carrier on methyl resonances