#!/bin/sh

set -e

# Fairly artificial example, as a test.
# Convert structure factors to intensities for input to SORTMTZ/SCALA,
# perhaps as a reference dataset.
combat HKLIN $CEXAM/toxd/toxd.mtz HKLOUT $CCP4_SCR/toxd_multi.mtz <<EOF
title TOXD data for reference
input mtzf
batch 1001
labi F=FTOXD3 SIGF=SIGFTOXD3 
end
EOF
#