Generate XDS.INP: Difference between revisions

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→‎The script: version 0.77 obtain QX QY from miniCBF header
m (→‎The script: comment for negative detector normal)
(→‎The script: version 0.77 obtain QX QY from miniCBF header)
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# revision 0.75 . KD 30/08/2017 reversed ORGX and ORGY for marCCD @ BM14 (Indian beamline @ ESRF)
# revision 0.75 . KD 30/08/2017 reversed ORGX and ORGY for marCCD @ BM14 (Indian beamline @ ESRF)
# revision 0.76 . KD 4/09/2017 include POSITION into REFINE(IDXREF) because latest XDS is more robust. Add comments to keywords.
# revision 0.76 . KD 4/09/2017 include POSITION into REFINE(IDXREF) because latest XDS is more robust. Add comments to keywords.
REVISION="0.76 (4-Sep-2017)"
# revision 0.77 . KD 19/12/2017 obtain QX QY from CBF header.
REVISION="0.77 (19-Dec-2017)"


#                                                                                                             
#                                                                                                             
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elif [ "$DET" == "pilatus" ]; then
elif [ "$DET" == "pilatus" ]; then
   DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576  !PILATUS"
   DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576  !PILATUS"
  QX=0.172 QY=0.172                                                       
   echo Data from a Pilatus detector                                         
   echo Data from a Pilatus detector                                         
   sed s/#// tmp2 > tmp1                                                     
   sed s/#// tmp2 > tmp1                                                     
   mv tmp1 tmp2                                                               
   mv tmp1 tmp2                                                               
  QX=0.172 QY=0.172                                                       
# the default above guards against missing Pixel_size line in CBF header
  grep Pixel_size tmp2 && QX=`awk '/Pixel_size/{print 1000*$2}' tmp2`
  grep -q Pixel_size tmp2 && QY=`awk '/Pixel_size/{print 1000*$5}' tmp2`                                                   


       # find SENSOR_THICKNESS:
       # find SENSOR_THICKNESS:
2,684

edits

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