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442 bytes added ,  13:25, 5 March 2013
generate_XDS.INP revision 0.30
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# revision 0.28 . Keitaro 11/2012 - for MarCCD: read oscillation range from the position 1024+736 (fix for omega rotation)
 
# revision 0.28 . Keitaro 11/2012 - for MarCCD: read oscillation range from the position 1024+736 (fix for omega rotation)
 
# revision 0.29 . KD 1/2013 - include UNTRUSTED_RECTANGLEs for Pilatus 6M; never hurts but needed if the beamline software does not mark them with -2 or such
 
# revision 0.29 . KD 1/2013 - include UNTRUSTED_RECTANGLEs for Pilatus 6M; never hurts but needed if the beamline software does not mark them with -2 or such
REVISION="0.29 (15-Jan-2013)"                                                                                 
+
# revision 0.30 . Keitaro 3/2013 - for ADSC: write all possible beam center conventions in XDS.INP as comments
 +
REVISION="0.30 (05-Mar-2013)"                                                                                 
 
#                                                                                                             
 
#                                                                                                             
 
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img"                                                       
 
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img"                                                       
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       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=//`
 
# fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -   
 
# fix 2010-04-26 - tell user about possible ORGX, ORGY alternatives -   
# at ESRF and ... (pls fill in!) the following should be used:         
+
# at ESRF, PF, and ... (pls fill in!) the following should be used:         
 
       ORGX=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l`               
 
       ORGX=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l`               
 
       ORGY=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l`               
 
       ORGY=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l`               
       echo - at ESRF BLs use: ORGX=$ORGX ORGY=$ORGY                     
+
       echo - at ESRF,PF BLs use: ORGX=$ORGX ORGY=$ORGY                     
 +
      COMMENT_ORGXY="
 +
! Following are possible beam center interpretations for ADSC detectors
 +
! ORGX= $ORGX ORGY= $ORGY ! For ESRF,PF,..."
 
# this 2nd alternative convention should be used at the following beamlines (pls complete the list): ALS 5.0.3, ...
 
# this 2nd alternative convention should be used at the following beamlines (pls complete the list): ALS 5.0.3, ...
 
       ORGX=`echo "scale=1; $NX-$BEAM_CENTER_X/$QX" | bc -l `                                                       
 
       ORGX=`echo "scale=1; $NX-$BEAM_CENTER_X/$QX" | bc -l `                                                       
 
       ORGY=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l `                                                           
 
       ORGY=`echo "scale=1; $BEAM_CENTER_Y/$QX" | bc -l `                                                           
 
       echo - at e.g. ALS 5.0.3 use: ORGX=$ORGX ORGY=$ORGY                                                           
 
       echo - at e.g. ALS 5.0.3 use: ORGX=$ORGX ORGY=$ORGY                                                           
 +
      COMMENT_ORGXY="${COMMENT_ORGXY}
 +
! ORGX= $ORGX ORGY= $ORGY ! For ALS 5.0.3,.."
 
# this 3rd alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2, ...  
 
# this 3rd alternative convention should be used at the following beamlines (pls complete the list): ALS 8.2.2, ...  
 
       ORGX=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l `                                                             
 
       ORGX=`echo "scale=1; $BEAM_CENTER_X/$QX" | bc -l `                                                             
 
       ORGY=`echo "scale=1; $NX-$BEAM_CENTER_Y/$QX" | bc -l `                                                         
 
       ORGY=`echo "scale=1; $NX-$BEAM_CENTER_Y/$QX" | bc -l `                                                         
 
       echo - at e.g. ALS 8.2.2 use: ORGX=$ORGX ORGY=$ORGY - this is written to XDS.INP                               
 
       echo - at e.g. ALS 8.2.2 use: ORGX=$ORGX ORGY=$ORGY - this is written to XDS.INP                               
 +
      COMMENT_ORGXY="${COMMENT_ORGXY}
 +
! ORGX= $ORGX ORGY= $ORGY ! For ALS 8.2.2,.."
 
# the latter alternative is written into the generated XDS.INP ! You have to correct this manually in XDS.INP, or adjust this script.
 
# the latter alternative is written into the generated XDS.INP ! You have to correct this manually in XDS.INP, or adjust this script.
 
       # find DETECTOR_DISTANCE and OSCILLATION_RANGE:                                                                                 
 
       # find DETECTOR_DISTANCE and OSCILLATION_RANGE:                                                                                 
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! written by generate_XDS.INP version $REVISION
 
! written by generate_XDS.INP version $REVISION
 
JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
 
JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
ORGX= $ORGX ORGY= $ORGY  ! check these values with adxv !
+
ORGX= $ORGX ORGY= $ORGY  ! check these values with adxv !\
 +
$COMMENT_ORGXY
 
DETECTOR_DISTANCE= $DETECTOR_DISTANCE                     
 
DETECTOR_DISTANCE= $DETECTOR_DISTANCE                     
 
OSCILLATION_RANGE= $OSCILLATION_RANGE                     
 
OSCILLATION_RANGE= $OSCILLATION_RANGE                     
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