blob: 98c34d65ebf93f2b87c9ea3693b5060bbdf6b7af (
plain)
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
|
#!/bin/sh
cat > partialator_merge_check_1.stream << EOF
CrystFEL stream format 2.1
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
photon_energy_eV = 2000.0
--- Begin crystal
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
Reflections measured after indexing
h k l I phase sigma(I) counts fs/px ss/px
1 0 0 100.00 - 1.00 1 938.0 629.0
End of reflections
--- End crystal
--- Begin crystal
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
Reflections measured after indexing
h k l I phase sigma(I) counts fs/px ss/px
1 0 0 200.00 - 1.00 1 938.0 629.0
End of reflections
--- End crystal
----- End chunk -----
EOF
cat > partialator_merge_check_1_ans.hkl << EOF
h k l I phase sigma(I) counts fs/px ss/px
1 0 0 150.00 - 35.36 2 0.0 0.0
End of reflections
EOF
cat > partialator_merge_check_1.beam << EOF
beam/fluence = 2.0e15
beam/radius = 1.5e-6
beam/photon_energy = 6000.0
beam/bandwidth = 0.0005
beam/divergence = 0.001
profile_radius = 0.005e9
EOF
cat > partialator_merge_check_1.geom << EOF
0/min_fs = 0
0/max_fs = 1023
0/min_ss = 0
0/max_ss = 1023
0/corner_x = -512.00
0/corner_y = -512.00
0/fs = x
0/ss = y
0/clen = 70.0e-3
0/res = 13333.3 ; 75 micron pixel size
0/badrow_direction = y
0/adu_per_eV = 1.0
EOF
src/partialator -i partialator_merge_check_1.stream \
-o partialator_merge_check_1.hkl \
-g partialator_merge_check_1.geom \
-b partialator_merge_check_1.beam \
--model=unity --iterations=0 --no-scale
diff partialator_merge_check_1.hkl partialator_merge_check_1_ans.hkl
if [ $? -ne 0 ]; then
exit 1
fi
rm -f partialator_merge_check_1.stream partialator_merge_check_1.hkl \
partialator_merge_check_1_ans.hkl partialator_merge_check_1.beam \
partialator_merge_check_1.geom
exit 0
|
