-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathcalib_13c.cw
153 lines (136 loc) · 2.96 KB
/
calib_13c.cw
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
; 13C 90 calibration
; set -DCALIB_C, adjust p20/pl20 for null, transmitter at cnst20 (ppm)
;
;hsqcphpr
;avance-version (07/04/04)
;HSQC
;2D H-1/X correlation via double inept transfer
;phase sensitive
;with decoupling during acquisition
;
;G. Bodenhausen & D.J. Ruben, Chem. Phys. Lett. 69, 185 (1980)
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
#include <Avance.incl>
#include <Delay.incl>
#include <Grad.incl>
"p2=p1*2"
"d2=p2"
"p4=p3*2"
"p22=p21*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d12=20u"
"d13=4u"
"DELTA2=d4-larger(p2,p4)/2-p16-d16-4u"
"acqt0=p1*0.6366"
1 ze
d11 pl12:f2
2 d11 do:f2
3 d12 pl9:f1
d1 cw:f1 ph29
d13 do:f1
d12 pl1:f1 pl2:f2 UNBLKGRAD
p1 ph1
4u
p16:gp1
d16
DELTA2
(center (p2 ph2) (p4 ph5):f2 )
DELTA2
p16:gp1
d16
4u
(p1 ph3)
4u
p16:gp2 ; zz purge
d16
# ifdef CALIB_C
4u pl20:f2 fq=cnst20 (bf ppm):f2
(p20 ph1):f2
p16:gp2*1.3
d16
4u pl2:f2 fq=0:f2
# endif /* CALIB_C */
(p3 ph6):f2
3u
# ifdef LABEL_CN
(center (p2 ph8) (p22 ph8):f3 )
# else
(p2 ph8)
# endif /*LABEL_CN*/
3u
(p3 ph7):f2
4u
p16:gp3
d16
(p1 ph4)
4u
p16:gp4
d16
DELTA2
(center (p2 ph2) (p4 ph5):f2 )
DELTA2
p16:gp4
d16 BLKGRAD
4u pl12:f2
go=2 ph31 cpd2:f2
d11 do:f2 mc #0 to 2 F0(zd)
exit
ph1=0
ph2=0
ph3=1
ph4=1
ph5=0
ph6=0 2
ph7=0 0 0 0 2 2 2 2
ph8=0 0 2 2
ph29=0
ph31=0 2 0 2 2 0 2 0
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl9 : f1 channel - power level for presaturation
;pl12: f2 channel - power level for CPD/BB decoupling
;sp3 : f2 channel - adiabatic inversion
;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
;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]
;d13: short delay [4 usec]
;cnst2: = J(XH)
;cnst20: 13C chemical shift of peak for calibration
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;NS: 4 * n
;DS: 16
;td1: number of experiments
;FnMODE: States-TPPI, TPPI, States or QSEQ
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
;for z-only gradients:
;gpz1: 7 %
;gpz2: 50 %
;gpz3: 35 %
;gpz4: 13 %
;use gradient files:
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100
;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with
; option -DLABEL_CN (eda: ZGOPTNS)
;HALFDWELL: for initial sampling delay of half a dwell-time with
; option -DHALFDWELL (eda: ZGOPTNS)
;preprocessor-flags-end
;$Id: hsqcphpr,v 1.4 2007/04/11 13:34:30 ber Exp $