From 10a69c2b9518cebb8a11c57121566907ba60f125 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 30 Sep 2019 20:50:06 +0200 Subject: Add files --- files/calc-foms.sh | 15 +++++++++++++++ 1 file changed, 15 insertions(+) create mode 100644 files/calc-foms.sh (limited to 'files/calc-foms.sh') 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 -- cgit v1.2.3