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Generate XDS.INP
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Revision as of 13:32, 13 August 2021
53 bytes removed
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13:32, 13 August 2021
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Line 476:
Line 476:
elif [ "$DET" == "experimental-ED" ]; then
elif [ "$DET" == "experimental-ED" ]; then
DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000 ! OVERLOAD is really unknown "
DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000 ! OVERLOAD is really unknown "
−
echo --- Electron diffraction data in SMV
formart
!
+
echo --- Electron diffraction data in SMV
format
!
SENSOR_THICKNESS=0.01
SENSOR_THICKNESS=0.01
sed s/\;// tmp2 > tmp1
sed s/\;// tmp2 > tmp1
Line 488:
Line 488:
BEAM_CENTER_Y=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`
BEAM_CENTER_Y=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`
QXY=`echo "scale=1; $QX*($BEAM_CENTER_X+$BEAM_CENTER_Y)" | bc -l`
QXY=`echo "scale=1; $QX*($BEAM_CENTER_X+$BEAM_CENTER_Y)" | bc -l`
−
QYO=`echo "scale=1; $QY*$BEAM_CENTER_Y" | bc -l`
if [ "$QXY" "<" "$BEAM_CENTER_X" ] ; then
if [ "$QXY" "<" "$BEAM_CENTER_X" ] ; then
ORGX=`echo "scale=2; $BEAM_CENTER_Y/$QX" | bc -l`
ORGX=`echo "scale=2; $BEAM_CENTER_Y/$QX" | bc -l`
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