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Generate XDS.INP: Difference between revisions
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# purpose: generate XDS.INP | # purpose: generate XDS.INP | ||
# revision 0.03 . Kay Diederichs 2/2010 | # revision 0.03 . Kay Diederichs 2/2010 | ||
# revision 0.04 . Kay Diederichs | # revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calc for ADSC | ||
# tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in. | # tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in. | ||
# | # | ||
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DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000" | DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000" | ||
echo this is an ADSC detector. there are at least two | echo this is an ADSC detector. there are at least two possibilites for obtaining ORGX, ORGY from the header ... | ||
strings `head -1 tmp1` | sed s/\;// > tmp2 | strings `head -1 tmp1` | sed s/\;// > tmp2 | ||
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ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//` | ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//` | ||
# fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives - | # fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives - | ||
# according to Ingo Korndörfer, | # according to Ingo Korndörfer, at ESRF and ... (pls fill in!) the following should be used: | ||
ORGX=`echo "scale=1; $ORGY/$QX" | bc -l ` | ORGX=`echo "scale=1; $ORGY/$QX" | bc -l ` | ||
ORGY=`echo "scale=1; $ORGX/$QX" | bc -l ` | ORGY=`echo "scale=1; $ORGX/$QX" | bc -l ` | ||
echo ATTENTION: at ESRF | echo ATTENTION: at ESRF BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !) | ||
# whereas this alternative convention should be used at the following beamlines (pls complete the list): | # whereas this alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2 and 5.0.3 | ||
ORGX=`echo "scale=1; $ORGX/$QX" | bc -l ` | ORGX=`echo "scale=1; $ORGX/$QX" | bc -l ` | ||
ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l ` | ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l ` | ||