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Generate XDS.INP: Difference between revisions
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generate_XDS.INP rev. 0.33
(generate_XDS.INP rev. 0.33) |
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# revision 0.31 . Keitaro 3/2013 - add comment for reversed phi for SPring-8 | # revision 0.31 . Keitaro 3/2013 - add comment for reversed phi for SPring-8 | ||
# revision 0.32 . Keitaro 3/2013 - add RAXIS support. only tested with RAXIS IV++ and VII. | # revision 0.32 . Keitaro 3/2013 - add RAXIS support. only tested with RAXIS IV++ and VII. | ||
REVISION="0. | # revision 0.33 . Keitaro 5/2013 - automatically set ROTATION_AXIS=-1 0 0 for SPring-8 BL32XU/41XU/44XU beamlines based on detector serial numbers. | ||
REVISION="0.33 (27-May-2013)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | ||
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# | # | ||
DETECTOR="XXX MINIMUM_VALID_PIXEL_VALUE=XXX OVERLOAD=XXX" | DETECTOR="XXX MINIMUM_VALID_PIXEL_VALUE=XXX OVERLOAD=XXX" | ||
REVERSE_PHI="no" | |||
ORGX=XXX | ORGX=XXX | ||
ORGY=XXX | ORGY=XXX | ||
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SENSOR_THICKNESS=0.01 | SENSOR_THICKNESS=0.01 | ||
# use first frame of dataset to obtain parameters | # use first frame of dataset to obtain parameters | ||
# Check detector serial number and recognize beamline for reversed-phi setting. | |||
# Known detectors for reversed-phi in SPring-8: 31: BL32XU MX225HE, 38: BL44XU MX225HE, 42: BL44XU MX300HE, 40: BL41XU MX225HE | |||
REVERSEPHI_SNs=" | |||
31 | |||
38 | |||
40 | |||
42 | |||
" | |||
# get detector serial number and check if it is included in the list | |||
DET_SN=`grep "Detector Serial Number =" tmp2 | sed "s/Detector Serial Number = //"` | |||
if echo "${DET_SN}${REVERSEPHI_SNs}" | sort | uniq -d | grep [0-9] > /dev/null; then | |||
REVERSE_PHI="yes" | |||
fi | |||
# offsets are documented; values can be found in mccd_xdsparams.pl script | # offsets are documented; values can be found in mccd_xdsparams.pl script | ||
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eof | eof | ||
else | else | ||
if [ "$REVERSE_PHI" == "no" ]; then | |||
echo 'ROTATION_AXIS=1 0 0 ! at e.g. Australian Synchrotron, SERCAT ID-22 (?), APS 19-ID (?), ESRF BM30A, SPring-8 this needs to be -1 0 0' >> XDS.INP | |||
else | |||
echo 'ROTATION_AXIS=-1 0 0 ! if this is wrong, please contact author.' >> XDS.INP | |||
fi | |||
cat >> XDS.INP << eof | cat >> XDS.INP << eof | ||
DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | ||
DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | ||
INCIDENT_BEAM_DIRECTION=0 0 1 | INCIDENT_BEAM_DIRECTION=0 0 1 | ||
FRACTION_OF_POLARIZATION=0.98 ! better value is provided by beamline staff! | FRACTION_OF_POLARIZATION=0.98 ! better value is provided by beamline staff! | ||
POLARIZATION_PLANE_NORMAL=0 1 0 | POLARIZATION_PLANE_NORMAL=0 1 0 | ||