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Generate XDS.INP: Difference between revisions
→The script: first implementation of MAR345
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# revision 0.38 . KD 2/2014 - change defaults for REFINE(IDXREF) and REFINE(INTEGRATE) such that more stable results are obtained for difficult datasets | # revision 0.38 . KD 2/2014 - change defaults for REFINE(IDXREF) and REFINE(INTEGRATE) such that more stable results are obtained for difficult datasets | ||
# revision 0.39 . Keitaro 4/2014 - automatically set ROTATION_AXIS=-1 0 0 for MX225HS at SPring-8 BL32XU. | # revision 0.39 . Keitaro 4/2014 - automatically set ROTATION_AXIS=-1 0 0 for MX225HS at SPring-8 BL32XU. | ||
REVISION="0. | # revision 0.40 . Jan Gebauer /KD 4/2014 - simple implementation of MAR345 detector | ||
REVISION="0.40 (15-April-2014)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | ||
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grep -q BEAM_CENTER_X tmp2 && DET=adsc | grep -q BEAM_CENTER_X tmp2 && DET=adsc | ||
head -n1 tmp2 | grep -q "^RAXIS" && DET=raxis | head -n1 tmp2 | grep -q "^RAXIS" && DET=raxis | ||
# identify other detector types in the same way | grep -q mar345 tmp2 && DET=MAR345 | ||
# identify other detector types in the same way | |||
# parse ASCII header of first frame | # parse ASCII header of first frame | ||
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X_RAY_WAVELENGTH=$(python -c 'import struct; f=open("'$FIRSTFRAME'","rb");f.seek(292);print "%.6f"%struct.unpack(">f",f.read(4))') | X_RAY_WAVELENGTH=$(python -c 'import struct; f=open("'$FIRSTFRAME'","rb");f.seek(292);print "%.6f"%struct.unpack(">f",f.read(4))') | ||
elif [ "$DET" == "MAR345" ]; then | |||
echo -ne "Data from a Mar345 image plate detector " | |||
DETECTOR="MAR345 MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD=130000" | |||
NX=`grep FORMAT tmp2 | awk '{print $2}'` | |||
NY=$NX | |||
if grep -q 'CENTER' tmp2; then | |||
echo Beam center found. | |||
ORGX=`grep 'CENTER' tmp2 | awk '{print $3}'` | |||
ORGY=`grep 'CENTER' tmp2 | awk '{print $5}'` | |||
else | |||
echo No beam center was found. Setting beam center to the middle of the detector. | |||
ORGX=`echo $NX / 2 | bc` | |||
ORGY=`echo $NY / 2 | bc` | |||
fi | |||
DETECTOR_DISTANCE=`grep 'DISTANCE' tmp2 | awk '{print $2}'` | |||
X_RAY_WAVELENGTH=`grep 'WAVELENGTH' tmp2 | awk '{print $2}'` | |||
OSCILLATION_RANGE=`grep 'PHI' tmp2 | awk '{print $5-$3}'` | |||
else | else | ||
echo should never come here | echo should never come here | ||