diff options
Diffstat (limited to 'files/calc-foms.sh')
| -rw-r--r-- | files/calc-foms.sh | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/files/calc-foms.sh b/files/calc-foms.sh new file mode 100644 index 0000000..02266a2 --- /dev/null +++ b/files/calc-foms.sh @@ -0,0 +1,15 @@ +#!/bin/sh + +source /gpfs/cfel/cxi/common/public/cfelsoft-rh7-public/conda-setup.sh +conda activate cfel_crystallography + +set -x + +check_hkl merged.hkl --highres=3 -p 5HT2B.cell +cat shells.dat + +compare_hkl merged.hkl1 merged.hkl2 --highres=3 -p 5HT2B.cell --fom=cc +cat shells.dat + +compare_hkl merged.hkl1 merged.hkl2 --highres=3 -p 5HT2B.cell --fom=Rsplit +cat shells.dat |