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#!/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
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