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Generate XDS.INP: Difference between revisions
→The script: rev 0.69 add CMOS1 detector at ALS 4.2.2 as a new detector type
(→The script: rev. 0.68 add -H to find command) |
(→The script: rev 0.69 add CMOS1 detector at ALS 4.2.2 as a new detector type) |
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# revision 0.67 . KD 02/10/2016 add BM30A (ADSC SERIAL 924) reverse_phi | # revision 0.67 . KD 02/10/2016 add BM30A (ADSC SERIAL 924) reverse_phi | ||
# revision 0.68 . KD 24/10/2016 add -H option (follow symlinks) to "find" command (thanks to Jan Gebauer!) | # revision 0.68 . KD 24/10/2016 add -H option (follow symlinks) to "find" command (thanks to Jan Gebauer!) | ||
REVISION="0. | # revision 0.69 . KD 04/11/2016 add CMOS-1 MBC Detector at ALS 4.2.2 | ||
REVISION="0.69 (04-Nov-2016)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "/file/system/frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "/file/system/frms/mydata_1_???.img" | ||
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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 | ||
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 | |||
else | else | ||
h5dump -d "/entry/instrument/detector/description" $FIRSTFRAME | grep -i Eiger > /dev/null && DET=eiger | h5dump -d "/entry/instrument/detector/description" $FIRSTFRAME | grep -i Eiger > /dev/null && DET=eiger | ||
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# find NX, QX, ORGX and ORGY: | # find NX, QX, ORGX and ORGY: | ||
NX=`grep SIZE1 tmp2 | tail -1 | sed s/SIZE1=//` | NX=`grep SIZE1 tmp2 | tail -1 | sed s/SIZE1=//` | ||
NY=`grep SIZE2 tmp2 | tail -1 | sed s/SIZE2=//` | |||
QX=`grep PIXEL_SIZE tmp2 | sed s/PIXEL_SIZE=//` | QX=`grep PIXEL_SIZE tmp2 | sed s/PIXEL_SIZE=//` | ||
QY=$QX | QY=$QX | ||
BEAM_CENTER_X=`grep BEAM_CENTER_X tmp2 | sed s/BEAM_CENTER_X=//` | BEAM_CENTER_X=`grep BEAM_CENTER_X tmp2 | sed s/BEAM_CENTER_X=//` | ||
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# find DETECTOR_DISTANCE and OSCILLATION_RANGE: | # find DETECTOR_DISTANCE and OSCILLATION_RANGE: | ||
DETECTOR_DISTANCE=`grep ^DISTANCE tmp2 | sed s/DISTANCE=//` | DETECTOR_DISTANCE=`grep ^DISTANCE tmp2 | sed s/DISTANCE=//` | ||
OSCILLATION_RANGE=`grep OSC_RANGE tmp2 | sed s/OSC_RANGE=//` | OSCILLATION_RANGE=`grep OSC_RANGE tmp2 | sed s/OSC_RANGE=//` | ||
elif [ "$DET" == "adsc-CMOS1" ]; then | |||
DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000" | |||
echo Data from CMOS1 MBC detector. | |||
SENSOR_THICKNESS=0.01 | |||
sed s/\;// tmp2 > tmp1 | |||
mv tmp1 tmp2 | |||
X_RAY_WAVELENGTH=`grep WAVELENGTH tmp2 | head -1 | sed s/WAVELENGTH=//` | |||
NX=`grep SIZE1 tmp2 | tail -1 | sed s/SIZE1=//` | |||
QX=`grep PIXEL_SIZE tmp2 | sed s/PIXEL_SIZE=//` | |||
NY=`grep SIZE2 tmp2 | tail -1 | sed s/SIZE2=//` | |||
QY=$QX | |||
ORGX=`grep BEAM_CENTER_X tmp2 | sed s/BEAM_CENTER_X=//` | |||
ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//` | |||
REVERSE_PHI="yes" | |||
DETECTOR_DISTANCE=`grep ^DISTANCE tmp2 | sed s/DISTANCE=/-/` | |||
OSCILLATION_RANGE=`grep OMEGA_DELTA tmp2 | sed s/OMEGA_DELTA=//` | |||
DIRECTION_OF_DETECTOR_X_AXIS="-1 0 0" | |||
elif [ "$DET" == "pilatus" ]; then | elif [ "$DET" == "pilatus" ]; then | ||
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if [ "$DET" == "Bruker-cbf" ]; then | if [ "$DET" == "Bruker-cbf" ]; then | ||
echo "DELPHI=15 ! refine less often than the default of 5" >> XDS.INP | echo "DELPHI=15 ! refine less often than the default of 5" >> XDS.INP | ||
elif [ "$DET" == "adsc-CMOS1" ]; then | |||
echo UNTRUSTED_RECTANGLE= 0 1468 2451 2631 >> XDS.INP | |||
elif [ "$DET" == "pilatus" -o "$DET" == "eiger" ]; then | elif [ "$DET" == "pilatus" -o "$DET" == "eiger" ]; then | ||
cat >> XDS.INP << eof | cat >> XDS.INP << eof | ||