#!/bin/sh -e
#
# Example script running SHELX C/D/E pipeline
# on a MAD experiment using parameters from
# the fastphas.pdf document

datadir=../DATA

# Run the pipeline
shelxc jia <<EOF
NAT ${datadir}/jia_nat.hkl
HREM ${datadir}/jia_hrem.sca
PEAK ${datadir}/jia_peak.sca
INFL ${datadir}/jia_infl.sca
LREM ${datadir}/jia_lrem.sca
CELL 96.00 120.00 166.13 90 90 90
SPAG C2221
FIND 8
NTRY 10
EOF
shelxd jia_fa
shelxe jia jia_fa -s0.6 -m20
shelxe jia jia_fa -s0.6 -m20 -i
#