#!/bin/sh PARTIALATOR=$1 cat > partialator_merge_check_1.stream << EOF CrystFEL stream format 2.3 Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn ----- Begin geometry file ----- photon_energy = 9000 eV clen = 50 mm panel/min_fs = 0 panel/min_ss = 0 panel/max_fs = 1023 panel/max_ss = 1023 panel/fs = x panel/ss = y panel/corner_x = -100 panel/corner_y = -100 panel/res = 1000000 panel/adu_per_photon = 1 panel/data = /data/data_array ----- End geometry file ----- ----- Begin chunk ----- Image filename: dummy.h5 photon_energy_eV = 6000.0 beam_bandwidth = 0.05 % beam_divergence = 1 mrad --- Begin crystal Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 profile_radius = 0.0005 nm^-1 Reflections measured after indexing h k l I sigma(I) peak background fs/px ss/px panel 1 0 0 100.00 0.00 100.0 0.0 938.0 629.0 panel End of reflections --- End crystal --- Begin crystal Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 profile_radius = 0.0005 nm^-1 Reflections measured after indexing h k l I sigma(I) peak background fs/px ss/px panel 1 0 0 200.00 0.00 100.0 0.0 938.0 629.0 panel End of reflections --- End crystal ----- End chunk ----- EOF # We merge two patterns, without scaling or partiality, the result should just # be an average. cat > partialator_merge_check_1_ans.hkl << EOF CrystFEL reflection list version 2.0 Symmetry: 1 h k l I phase sigma(I) nmeas 1 0 0 150.00 - 35.36 2 EOF $PARTIALATOR -i partialator_merge_check_1.stream \ -o partialator_merge_check_1.hkl \ --model=unity --iterations=0 --no-scale --no-polarisation \ --no-logs --no-free if [ $? -ne 0 ]; then exit 1 fi sed -n '/End of reflections/q;p' partialator_merge_check_1.hkl > temp1.hkl mv temp1.hkl partialator_merge_check_1.hkl diff partialator_merge_check_1.hkl partialator_merge_check_1_ans.hkl if [ $? -ne 0 ]; then exit 1 fi rm -f partialator_merge_check_1.stream partialator_merge_check_1.hkl \ partialator_merge_check_1_ans.hkl partialator.params \ partialator_merge_check_1.hkl1 partialator_merge_check_1.hkl2 \ pgraph-iter0.dat pgraph-iter1.dat exit 0