Changes

  # purpose: generate XDS.INP

  # purpose: generate XDS.INP

  # revision 0.03 . Kay Diederichs 2/2010  

  # revision 0.03 . Kay Diederichs 2/2010  

  # revision 0.04 . Kay Diederichs 26/4/2010  

  # revision 0.04 . Kay Diederichs 4/2010 - include alternative ORGX, ORGY calc for ADSC

  # tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in.

  # tested with own and some JCSG datasets; only MARCCD, ADSC/SMV, PILATUS detectors; for other detectors, values must be manually filled in.

  #

  #

   

   

   DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000"

   DETECTOR="ADSC MINIMUM_VALID_PIXEL_VALUE= 1 OVERLOAD= 65000"

   echo this is an ADSC detector. there are at least two conventions

   echo this is an ADSC detector. there are at least two possibilites for obtaining ORGX, ORGY from the header ...

   strings `head -1 tmp1` | sed s/\;// > tmp2

   strings `head -1 tmp1` | sed s/\;// > tmp2

   

   

       ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`

       ORGY=`grep BEAM_CENTER_Y tmp2 | sed s/BEAM_CENTER_Y=//`

  # fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -   

  # fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -   

  # according to Ingo Korndörfer, e.g. at ESRF ID29 the following should be used:

  # according to Ingo Korndörfer, at ESRF and ... (pls fill in!) the following should be used:

       ORGX=`echo "scale=1; $ORGY/$QX" | bc -l `

       ORGX=`echo "scale=1; $ORGY/$QX" | bc -l `

       ORGY=`echo "scale=1; $ORGX/$QX" | bc -l `

       ORGY=`echo "scale=1; $ORGX/$QX" | bc -l `

       echo ATTENTION: at ESRF ID29 and other BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)  

       echo ATTENTION: at ESRF BLs use: ORGX=$ORGX ORGY=$ORGY (try these in XDS.INP !)  

  # whereas this alternative convention should be used at the following beamlines (pls complete the list):  

  # whereas this alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2 and 5.0.3

       ORGX=`echo "scale=1; $ORGX/$QX" | bc -l `

       ORGX=`echo "scale=1; $ORGX/$QX" | bc -l `

       ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l `

       ORGY=`echo "scale=1; $NX-$ORGY/$QX" | bc -l `