21
edits
Changes
mLine 134:
Line 134: + + + + + +
→added 'freerflag' to bash-script for setting all Rfree-flags valid (otherwise problems with e.g. buster)
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