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Generate XDS.INP: Difference between revisions
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→The script: more work on support of blanks in filenames
(→The script: cope with blanks in filename) |
(→The script: more work on support of blanks in filenames) |
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# find out detector type | # find out detector type | ||
DET=XXX | DET=XXX | ||
IFS=$'\n' | |||
FIRSTFRAME=`head -1 tmp1` | FIRSTFRAME=`head -1 tmp1` | ||
echo $FIRSTFRAME | grep -q bz2 && bzcat $FIRSTFRAME > tmp1 && FIRSTFRAME=tmp1 | echo $FIRSTFRAME | grep -q bz2 && bzcat $FIRSTFRAME > tmp1 && FIRSTFRAME=tmp1 | ||
strings $FIRSTFRAME > tmp2 | strings $FIRSTFRAME > tmp2 | ||
unset IFS | |||
# TODO: whenever FIRSTFRAME is used below, it should be copied to tmp2 (using IFS as above), and tmp2 should be used instead | |||
# this was done for "mccd", but still has to be done for the "raxis" detector types | |||
# the reason is that FIRSTFRAME may contain a blank, which makes some commands fail | |||
egrep -qi 'marccd|Corrected' tmp2 && DET=mccd | egrep -qi 'marccd|Corrected' tmp2 && DET=mccd | ||
grep -q PILATUS tmp2 && DET=pilatus | grep -q PILATUS tmp2 && DET=pilatus | ||
| Line 167: | Line 172: | ||
# offsets are documented; values can be found in mccd_xdsparams.pl script | # offsets are documented; values can be found in mccd_xdsparams.pl script | ||
IFS=$'\n' | |||
cp $FIRSTFRAME tmp2 | |||
unset IFS | |||
let SKIP=1024+80 | let SKIP=1024+80 | ||
NX=$(od -t dI -j $SKIP -N 4 | NX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
let SKIP=$SKIP+4 | let SKIP=$SKIP+4 | ||
NY=$(od -t dI -j $SKIP -N 4 | NY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
let SKIP=1720 | let SKIP=1720 | ||
DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 | DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
DETECTOR_DISTANCE=`echo "scale=3; $DETECTOR_DISTANCE/1000" | bc -l` | DETECTOR_DISTANCE=`echo "scale=3; $DETECTOR_DISTANCE/1000" | bc -l` | ||
let SKIP=1024+256+128+256+4 | let SKIP=1024+256+128+256+4 | ||
ORGX=$(od -t dI -j $SKIP -N 4 | ORGX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
ORGX=`echo "scale=2; $ORGX/1000" | bc -l ` | ORGX=`echo "scale=2; $ORGX/1000" | bc -l ` | ||
let SKIP=$SKIP+4 | let SKIP=$SKIP+4 | ||
ORGY=$(od -t dI -j $SKIP -N 4 | ORGY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
ORGY=`echo "scale=2; $ORGY/1000" | bc -l ` | ORGY=`echo "scale=2; $ORGY/1000" | bc -l ` | ||
let SKIP=1024+736 | let SKIP=1024+736 | ||
OSCILLATION_RANGE=$(od -t dI -j $SKIP -N 4 | OSCILLATION_RANGE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
OSCILLATION_RANGE=`echo "scale=3; $OSCILLATION_RANGE/1000" | bc -l` | OSCILLATION_RANGE=`echo "scale=3; $OSCILLATION_RANGE/1000" | bc -l` | ||
let SKIP=1024+256+128+256+128+4 | let SKIP=1024+256+128+256+128+4 | ||
QX=$(od -t dI -j $SKIP -N 4 | QX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
QX=`echo "scale=10; $QX/1000000" |bc -l ` | QX=`echo "scale=10; $QX/1000000" |bc -l ` | ||
let SKIP=$SKIP+4 | let SKIP=$SKIP+4 | ||
QY=$(od -t dI -j $SKIP -N 4 | QY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
QY=`echo "scale=10; $QY/1000000" |bc -l ` | QY=`echo "scale=10; $QY/1000000" |bc -l ` | ||
let SKIP=1024+256+128+256+128+128+12 | let SKIP=1024+256+128+256+128+128+12 | ||
X_RAY_WAVELENGTH=$(od -t dI -j $SKIP -N 4 | X_RAY_WAVELENGTH=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
X_RAY_WAVELENGTH=`echo "scale=5; $X_RAY_WAVELENGTH/100000" | bc -l` | X_RAY_WAVELENGTH=`echo "scale=5; $X_RAY_WAVELENGTH/100000" | bc -l` | ||