#!/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