blob: 1e8b4fab1f167acadd5d440a07dca46c501532ac (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
|
#!/bin/sh
module load maxwell miniconda3
conda activate /gpfs/cfel/cxi/scratch/user/twhite/conda/envs/crystfel_dev
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
|