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Generate XDS.INP: Difference between revisions
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→The script: rev 1.02
(→The script: revision 0.99 . Aaron Finke (CHESS) add ROTATION_AXIS=-1 0 0 for EIGER2 16M detector at MX beamline ID7B2 (CHESS)) |
(→The script: rev 1.02) |
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| (5 intermediate revisions by the same user not shown) | |||
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# revision 0.97 . KD 19/10/2020 add UNTRUSTED_RECTANGLEs for Eiger2 (which has a few pixels less than Eiger (thanks to Andreas Förster) | # revision 0.97 . KD 19/10/2020 add UNTRUSTED_RECTANGLEs for Eiger2 (which has a few pixels less than Eiger (thanks to Andreas Förster) | ||
# revision 0.98 . Thomas Hauß (HZB) 06/11/2020 switch Python print syntax to Python3 | # revision 0.98 . Thomas Hauß (HZB) 06/11/2020 switch Python print syntax to Python3 | ||
# revision 0.99 . Aaron Finke (CHESS) add ROTATION_AXIS=-1 0 0 for EIGER2 16M detector at MX beamline ID7B2 (CHESS) | # revision 0.99 . Aaron Finke (CHESS) 07/11/2020 add ROTATION_AXIS=-1 0 0 for EIGER2 16M detector at MX beamline ID7B2 (CHESS) | ||
REVISION=" | # revision 1.00 . Gleb Bourenkov 10/11/2020 add ROTATION_AXIS=0 -1 0 for beamline P14 (EMBL Hamburg) detectors Eiger 16M S/N E-32-0107; previously Eiger 4M S/N E-08-0107 and PILATUS 6M-F, S/N 60-0115-F | ||
# revision 1.01 . KD 07/12/2020 ROTATION_AXIS=0 -1 0 for Pilatus3 2M, S/N 24-0118 at ID23-2 (http://www.globalphasing.com/autoproc/wiki/index.cgi?BeamlineSettings) | |||
# revision 1.02 . KD 11/01/2021 recognize mar555 detector as mar345 (thanks to Thomas Hauß, HZB) | |||
REVISION="1.02 (11-Jan-2021)" | |||
# | # | ||
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grep -q "^SOURCE_WAVELENGTH= *1" tmp2 && DET=dtrek | grep -q "^SOURCE_WAVELENGTH= *1" tmp2 && DET=dtrek | ||
grep -q BEAM_CENTER_X tmp2 && DET=adsc | grep -q BEAM_CENTER_X tmp2 && DET=adsc | ||
grep -q mar345 tmp2 && DET=MAR345 | grep -q mar345 tmp2 && DET=MAR345 | ||
# rev. 1.02: in one case, mar555 data could be processed pretending it is mar345, so: | |||
grep -q mar555 tmp2 && DET=MAR345 | |||
grep -q BRUKER tmp2 && grep -q CBF tmp2 && DET=Bruker-cbf | grep -q BRUKER tmp2 && grep -q CBF tmp2 && DET=Bruker-cbf | ||
grep -q CMOS1 tmp2 && DET=adsc-CMOS1 | grep -q CMOS1 tmp2 && DET=adsc-CMOS1 | ||
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fi | fi | ||
fi | fi | ||
# | # PETRA P14: raw data from Eiger are stored as CBF files so this is treated as Pilatus | ||
if [ "$DET_SN" == "Dectris Eiger 16M, E-32-0107" -o "$DET_SN" == "Dectris Eiger 4M, E-08-0107" -o "$DET_SN" == "PILATUS 6M-F, S/N 60-0115-F" ] ; then | |||
rotation_axis="0 -1 0" | |||
echo ROTATION_AXIS="0 -1 0" at PETRA P14 | |||
fi | |||
# ESRF ID23-2: | |||
if [ "$DET_SN" == "PILATUS3 2M, S/N 24-0118, ESRF ID23" ] ; then | |||
rotation_axis="0 -1 0" | |||
echo ROTATION_AXIS="0 -1 0" at ESRF ID23-2 | |||
fi | |||
elif [ "$DET" == "eiger" ]; then | elif [ "$DET" == "eiger" ]; then | ||
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if [ "$SN" == "E-32-0111" ] || [ "$SN" == "E-32-0123" ]; then | if [ "$SN" == "E-32-0111" ] || [ "$SN" == "E-32-0123" ]; then | ||
rotation_axis="-1 0 0" | rotation_axis="-1 0 0" | ||
echo SSRF BL17U1 with inverted rotation axis | echo SSRF BL17U1 or CHESS ID7B2 with inverted rotation axis | ||
fi | fi | ||
fi | fi | ||
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DETECTOR="MAR345 MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=130000" | DETECTOR="MAR345 MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=130000" | ||
NX=`awk '/FORMAT/{print $2}' tmp2` | NX=`awk '/FORMAT/{print $2}' tmp2` | ||
NY=$NX | # next line is rev 1.02 (previously NY= $NX): | ||
NY=`awk -v NX=$NX '/FORMAT/{print $4/NX}' tmp2` | |||
QX=`awk '/PIXEL/{print $3/1000.}' tmp2` | QX=`awk '/PIXEL/{print $3/1000.}' tmp2` | ||
QY=`awk '/PIXEL/{print $5/1000.}' tmp2` | QY=`awk '/PIXEL/{print $5/1000.}' tmp2` | ||