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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 26/4/2010 | + | # 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 conventions | + | 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, e.g. at ESRF ID29 the following should be used: | + | # 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 ID29 and other BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !) | + | 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 ` |