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Generate XDS.INP: Difference between revisions
rev. 0.43
(ver. 0.42) |
(rev. 0.43) |
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# revision 0.41 . recognize header starting with R-AXIS instead of RAXIS | # revision 0.41 . recognize header starting with R-AXIS instead of RAXIS | ||
# revision 0.42 . Keitaro 5/2014 automatically set ROTATION_AXIS=-1 0 0 for Q315 at SPring-8 BL38B1. | # revision 0.42 . Keitaro 5/2014 automatically set ROTATION_AXIS=-1 0 0 for Q315 at SPring-8 BL38B1. | ||
REVISION="0. | # revision 0.43 . Keitaro 5/2014 add experimental support of dTREK format (raxis_smv) | ||
REVISION="0.43 (01-May-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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head -n1 tmp2 | grep -q "^RAXIS" && DET=raxis | head -n1 tmp2 | grep -q "^RAXIS" && DET=raxis | ||
head -n1 tmp2 | grep -q "^R-AXIS" && DET=raxis | head -n1 tmp2 | grep -q "^R-AXIS" && DET=raxis | ||
grep -q "^DETECTOR_TYPE=RAXIS" tmp2 && DET=raxis_smv | |||
grep -q mar345 tmp2 && DET=MAR345 | grep -q mar345 tmp2 && DET=MAR345 | ||
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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 [ "$DET" == "raxis_smv" ]; then | |||
echo "Data from a RAXIS detector with SMV header (dTREK image)" | |||
DETECTOR="RAXIS MINIMUM_VALID_PIXEL_VALUE=0" | |||
sed s/\;// tmp2 > tmp1 | |||
mv tmp1 tmp2 | |||
# find OVERLOAD | |||
SATURATED_VALUE=`grep SATURATED_VALUE tmp2 | head -1 | sed s/SATURATED_VALUE=//` | |||
DETECTOR="${DETECTOR} OVERLOAD=${SATURATED_VALUE}" | |||
# find X_RAY_WAVELENGTH: | |||
X_RAY_WAVELENGTH=(`grep SOURCE_WAVELENGTH tmp2 | head -1 | sed s/SOURCE_WAVELENGTH=//`) | |||
X_RAY_WAVELENGTH=${X_RAY_WAVELENGTH[1]} | |||
# find NX,NY,QX,QY | |||
# NOTE that "RX_" may be different. probably we should check DETECTOR_NAMES= in header (RX_ is expected currently). | |||
# NX,NY should be read from RX_DETECTOR_DIMENSIONS? | |||
NX=`grep SIZE1 tmp2 | tail -1 | sed s/SIZE1=//` | |||
NY=`grep SIZE2 tmp2 | tail -1 | sed s/SIZE2=//` | |||
DET_SIZE=(`grep RX_DETECTOR_SIZE tmp2 | tail -1 | sed s/RX_DETECTOR_SIZE=//`) | |||
QX=`echo "scale=1; ${DET_SIZE[0]} / $NX" | bc -l` | |||
QY=`echo "scale=1; ${DET_SIZE[1]} / $NY" | bc -l` | |||
# find ORGX, ORGY | |||
SPATIAL_DISTORTION_INFO=(`grep RX_SPATIAL_DISTORTION_INFO tmp2 | tail -1 | sed s/RX_SPATIAL_DISTORTION_INFO=//`) | |||
ORGX=${SPATIAL_DISTORTION_INFO[0]} | |||
ORGY=${SPATIAL_DISTORTION_INFO[1]} | |||
# find DETECTOR_DISTANCE | |||
GONIO_NAMES=(`grep RX_GONIO_NAMES tmp2 | tail -1 | sed s/RX_GONIO_NAMES=//`) | |||
GONIO_VALUES=(`grep RX_GONIO_VALUES tmp2 | tail -1 | sed s/RX_GONIO_VALUES=//`) | |||
GONIO_UNITS=(`grep RX_GONIO_UNITS tmp2 | tail -1 | sed s/RX_GONIO_UNITS=//`) | |||
for i in `seq 1 ${#GONIO_NAMES[*]}` | |||
do | |||
idx=$((i-1)) | |||
if [ "${GONIO_NAMES[$idx]}" == "Distance" ]; then | |||
DETECTOR_DISTANCE="-${GONIO_VALUES[$idx]}" | |||
# TODO: Check unit!! - ${GONIO_UNITS[$idx]} | |||
fi | |||
done | |||
# find OSCILLATION_RANGE | |||
ROTATION=(`grep "^ROTATION=" tmp2 | tail -1 | sed s/ROTATION=//`) | |||
OSCILLATION_RANGE=${ROTATION[2]} | |||
# NOTE: how can we know correct ROTATION_AXIS=? | |||
elif [ "$DET" == "MAR345" ]; then | elif [ "$DET" == "MAR345" ]; then | ||
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eof | eof | ||
if [ "$DET" == "raxis" ]; then | if [ "$DET" == "raxis" -o "$DET" == "raxis_smv" ]; then | ||
cat >> XDS.INP << eof | cat >> XDS.INP << eof | ||
DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | DIRECTION_OF_DETECTOR_X-AXIS=1 0 0 | ||