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Generate XDS.INP: Difference between revisions
→The script: rev 1.02
(→The script: rev 1.02) |
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# 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 1.00 . 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 1.01 . 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. | # 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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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` | ||