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Generate XDS.INP: Difference between revisions
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alert user to ADSC alternative convention
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(alert user to ADSC alternative convention) |
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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 | |||
# 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 | echo this is an ADSC detector. there are at least two conventions | ||
strings `head -1 tmp1` | sed s/\;// > tmp2 | strings `head -1 tmp1` | sed s/\;// > tmp2 | ||
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QX=`grep PIXEL_SIZE tmp2 | sed s/PIXEL_SIZE=//` | QX=`grep PIXEL_SIZE tmp2 | sed s/PIXEL_SIZE=//` | ||
ORGX=`grep BEAM_CENTER_X tmp2 | sed s/BEAM_CENTER_X=//` | ORGX=`grep BEAM_CENTER_X tmp2 | sed s/BEAM_CENTER_X=//` | ||
ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//` | |||
# fix 2010-04-26 - tell user about possible alternatives | |||
# according to Ingo Korndörfer, e.g. at ESRF ID29 the following should be used: | |||
ORGX=`echo "scale=1; $ORGY/$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 !) | |||
# whereas this alternative convention should be used at the following beamlines (pls complete the list): XXXXX | |||
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 ` | ||
# the latter alternative is written into the generated XDS.INP | |||
# find DETECTOR_DISTANCE and OSCILLATION_RANGE: | # find DETECTOR_DISTANCE and OSCILLATION_RANGE: | ||
DETECTOR_DISTANCE=`grep DISTANCE tmp2 | sed s/DISTANCE=//` | DETECTOR_DISTANCE=`grep DISTANCE tmp2 | sed s/DISTANCE=//` | ||