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Xdsconv: Difference between revisions
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→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 | ||