Generate XDS.INP: Difference between revisions

Generate XDS.INP (view source)

Revision as of 23:25, 28 May 2014

297 bytes added , 28 May 2014

→‎The script: more work on support of blanks in filenames

Kay

Bureaucrats

2,652

edits

@@ Line 123: / Line 123: @@
 # find out detector type
 DET=XXX
+IFS=$'\n'
 FIRSTFRAME=`head -1 tmp1`
 echo $FIRSTFRAME | grep -q bz2 && bzcat $FIRSTFRAME > tmp1 && FIRSTFRAME=tmp1
 strings $FIRSTFRAME > tmp2
+unset IFS
+# TODO: whenever FIRSTFRAME is used below, it should be copied to tmp2 (using IFS as above), and tmp2 should be used instead
+# this was done for "mccd", but still has to be done for the "raxis" detector types
+# the reason is that FIRSTFRAME may contain a blank, which makes some commands fail
 egrep -qi 'marccd|Corrected' tmp2 && DET=mccd
 grep -q PILATUS tmp2             && DET=pilatus
@@ Line 167: / Line 172: @@
    # offsets are documented; values can be found in mccd_xdsparams.pl script
+  IFS=$'\n'
+  cp $FIRSTFRAME tmp2
+  unset IFS
    let SKIP=1024+80
-   NX=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   NX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    let SKIP=$SKIP+4
-   NY=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   NY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    let SKIP=1720
-   DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    DETECTOR_DISTANCE=`echo "scale=3; $DETECTOR_DISTANCE/1000" | bc -l`
    let SKIP=1024+256+128+256+4
-   ORGX=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   ORGX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    ORGX=`echo "scale=2; $ORGX/1000" | bc -l `
    let SKIP=$SKIP+4
-   ORGY=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   ORGY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    ORGY=`echo "scale=2; $ORGY/1000" | bc -l `
    let SKIP=1024+736
-   OSCILLATION_RANGE=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   OSCILLATION_RANGE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    OSCILLATION_RANGE=`echo "scale=3; $OSCILLATION_RANGE/1000" | bc -l`
    let SKIP=1024+256+128+256+128+4
-   QX=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   QX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    QX=`echo "scale=10; $QX/1000000" |bc -l `
    let SKIP=$SKIP+4
-   QY=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   QY=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}')
    QY=`echo "scale=10; $QY/1000000" |bc -l `
    let SKIP=1024+256+128+256+128+128+12
-   X_RAY_WAVELENGTH=$(od -t dI -j $SKIP -N 4 $FIRSTFRAME | head -1 | awk '{print $2}')
+   X_RAY_WAVELENGTH=$(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`