blob: ef2e28a6808d2ff904c3f75289fa2dd685921689 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
|
#!/bin/sh
source /gpfs/cfel/cxi/common/public/cfelsoft-rh7-public/conda-setup.sh
conda activate cfel_crystallography
set -x
check_hkl ${CRYSTFEL_DEMO_FILES}/merged.hkl --highres=3 -p ${CRYSTFEL_DEMO_FILES}/5HT2B.cell
cat shells.dat
compare_hkl ${CRYSTFEL_DEMO_FILES}/merged.hkl1 ${CRYSTFEL_DEMO_FILES}/merged.hkl2 --highres=3 -p ${CRYSTFEL_DEMO_FILES}/5HT2B.cell --fom=cc
cat shells.dat
compare_hkl ${CRYSTFEL_DEMO_FILES}/merged.hkl1 ${CRYSTFEL_DEMO_FILES}/merged.hkl2 --highres=3 -p ${CRYSTFEL_DEMO_FILES}/5HT2B.cell --fom=Rsplit
cat shells.dat
|