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FAQ: Difference between revisions
→why do the latest XDS/XSCALE versions only give a single table, with I/sigma>=-3 cutoff?: workaround
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By the way, SCALEPACK also uses a -3 sigma cutoff (see "SIGMA CUTOFF" at http://www.hkl-xray.com/hkl_web1/hkl/Scalepack_Keywords.html). | By the way, SCALEPACK also uses a -3 sigma cutoff (see "SIGMA CUTOFF" at http://www.hkl-xray.com/hkl_web1/hkl/Scalepack_Keywords.html). | ||
A workaround to get just the statistics for the I > 3 sigma observations is the following: | |||
head -100 XDS_ASCII.HKL | grep \! | grep -v END_OF_DATA > temp.hkl | |||
grep -v \! XDS_ASCII.HKL | awk '{if ($4/sqrt($5*$5)>3) print $0}' >> temp.hkl | |||
echo \!END_OF_DATA >> temp.hkl | |||
Warning - the following overwrites any existing XSCALE.INP and XSCALE.LP: | |||
echo OUTPUT_FILE=temp.ahkl > XSCALE.INP | |||
echo INPUT_FILE=temp.hkl >> XSCALE.INP | |||
echo CORRECTIONS= >> XSCALE.INP | |||
xscale_par | |||
XSCALE.LP now has the table for the I > 3sigma observations (even if the header of the table says that it's for the SIGNAL/NOISE >= -3.0 data) | |||
== other questions == | == other questions == | ||