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Generate XDS.INP: Difference between revisions
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→The script
(→The script: rev 1.13 make /usr/local/lib64/dectris-neggia.so into a variable, and similarly for durin-plugin.so) |
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# revision 1.11 . KD / Helena Taberman ROTATION_AXIS=-1 0 0 for Eiger .cbf data from Petra P14 | # revision 1.11 . KD / Helena Taberman ROTATION_AXIS=-1 0 0 for Eiger .cbf data from Petra P14 | ||
# revision 1.12 . KD / Helena Taberman correct rev 1.11 to be 0 -1 0 | # revision 1.12 . KD / Helena Taberman correct rev 1.11 to be 0 -1 0 | ||
# revision 1.13 . KD | # revision 1.13 . KD variables for /usr/local/lib64/dectris-neggia.so and durin-plugin.so . Remove h5dump error messages. | ||
REVISION="1.13 ( | REVISION="1.13 (04-Jun-2022)" | ||
# | # | ||
| Line 622: | Line 622: | ||
OSCILLATION_RANGE=`h5dump -d "/entry/sample/goniometer/omega_range_average" $FIRSTFRAME | awk '/\(0\): [0-9]/{print $2}'` | OSCILLATION_RANGE=`h5dump -d "/entry/sample/goniometer/omega_range_average" $FIRSTFRAME | awk '/\(0\): [0-9]/{print $2}'` | ||
# STARTING_ANGLE: the \- was introduced in version 0.91 to allow negative values : | # STARTING_ANGLE: the \- was introduced in version 0.91 to allow negative values : | ||
STARTING_ANGLE=`h5dump -d "/entry/sample/goniometer/omega_start" $FIRSTFRAME | awk '/\(0\): [\-0-9]/{print $2}'` | STARTING_ANGLE=`h5dump -d "/entry/sample/goniometer/omega_start" $FIRSTFRAME 2>/dev/null | awk '/\(0\): [\-0-9]/{print $2}'` | ||
# /entry/sample/goniometer/omega_start is missing in some eiger2 detectors (e.g. Eiger2 9M with fw version release-2020.2.1 and SIMPLON API 1.8) (Feng YU 2021-07-18) | # /entry/sample/goniometer/omega_start is missing in some eiger2 detectors (e.g. Eiger2 9M with fw version release-2020.2.1 and SIMPLON API 1.8) (Feng YU 2021-07-18) | ||
if [ "$STARTING_ANGLE" == "" ]; then | if [ "$STARTING_ANGLE" == "" ]; then | ||
echo "/entry/sample/goniometer/omega_start not found, | echo "/entry/sample/goniometer/omega_start not found, trying /entry/sample/goniometer/omega" | ||
STARTING_ANGLE=`h5dump -d /entry/sample/goniometer/omega $FIRSTFRAME | grep "(0):" | head -n 1 | awk '{print $2}' | sed -e "s/,//g"` | STARTING_ANGLE=`h5dump -d /entry/sample/goniometer/omega $FIRSTFRAME | grep "(0):" | head -n 1 | awk '{print $2}' | sed -e "s/,//g"` | ||
fi | fi | ||
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# rev 1.10: check for NeXus header. If found, its geometry will overwrite any rotation_axis set until here. | # rev 1.10: check for NeXus header. If found, its geometry will overwrite any rotation_axis set until here. | ||
NeXus=0 | NeXus=0 | ||
h5dump -d "/entry/definition" $FIRSTFRAME | grep -q NXmx && NeXus=1 | h5dump -d "/entry/definition" $FIRSTFRAME 2>/dev/null | grep -q NXmx && NeXus=1 | ||
if [ "$NeXus" == "1" ]; then | if [ "$NeXus" == "1" ]; then | ||
echo NeXus header found. This defines DIRECTION_OF_DETECTOR_X/Y-AXIS and ROTATION_AXIS. | echo NeXus header found. This defines DIRECTION_OF_DETECTOR_X/Y-AXIS and ROTATION_AXIS. | ||
| Line 1,008: | Line 1,008: | ||
if [ -e $neggia_path ]; then | if [ -e $neggia_path ]; then | ||
echo LIB=$neggia_path >> XDS.INP | echo LIB=$neggia_path >> XDS.INP | ||
echo LIB= | echo "LIB= <dectris-neggia> was written to XDS.INP . Check the path! For Apple M1 processors, modify the name." | ||
else | else | ||
echo !LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP | echo !LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP | ||
echo dectris-neggia.so not found. Specify LIB=<path-to-dectris-neggia> in XDS.INP & fix your generate_XDS.INP ! | echo "dectris-neggia.so not found. Specify LIB=<path-to-dectris-neggia> in XDS.INP & fix your generate_XDS.INP !" | ||
fi | fi | ||
else | else | ||
| Line 1,017: | Line 1,017: | ||
if [ -e $durin_path ]; then | if [ -e $durin_path ]; then | ||
echo LIB=$durin_path >> XDS.INP | echo LIB=$durin_path >> XDS.INP | ||
echo LIB= | echo "LIB= <durin-plugin> was written to XDS.INP . Check the path! For Apple M1 processors, modify the name." | ||
else | else | ||
echo !LIB=/usr/local/lib64/durin-plugin.so >> XDS.INP | echo !LIB=/usr/local/lib64/durin-plugin.so >> XDS.INP | ||
echo durin-plugin.so not found. Specify LIB=<path-to-durin-plugin> in XDS.INP & fix your generate_XDS.INP ! | echo "durin-plugin.so not found. Specify LIB=<path-to-durin-plugin> in XDS.INP & fix your generate_XDS.INP !" | ||
fi | fi | ||
fi | fi | ||