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Xdsconv
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Revision as of 19:08, 4 March 2013
205 bytes added
,
19:08, 4 March 2013
m
→added 'freerflag' to bash-script for setting all Rfree-flags valid (otherwise problems with e.g. buster)
Line 134:
Line 134:
rm temp1.mtz
rm temp1.mtz
+
+
# correct for FreeRflag (if new file has more reflections than reference file)
+
freerflag hklin ${BASE%.HKL}.mtz hklout temp1.mtz << eof | tee ${BASE%.HKL}_freerflag.log
+
COMPLETE FREE=${FREERFLAG}
+
end
+
eof
# correct for real data in case Rfree data set contains too many hkls
# correct for real data in case Rfree data set contains too many hkls
Grunet
21
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