aboutsummaryrefslogtreecommitdiff
path: root/tests/partialator_merge_check_1
blob: 6efa0337b9d87ae941d8900684f9ec1b9f074f75 (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
#!/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 = 6000.0
beam_bandwidth = 0.05 %
beam_divergence = 1 mrad
--- 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
profile_radius = 0.005 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
profile_radius = 0.005 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

# We merge two patterns, without scaling or partiality, the result should just
# be an average.
cat > partialator_merge_check_1_ans.hkl << EOF
CrystFEL reflection list version 2.0
Symmetry: unknown
   h    k    l          I    phase   sigma(I)   nmeas
   1    0    0     150.00        -      35.36       2
End of reflections
EOF

src/partialator -i partialator_merge_check_1.stream \
                -o partialator_merge_check_1.hkl  \
                --model=unity --iterations=0 --no-scale --no-polarisation

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 scaling-report.pdf partialator.params
exit 0