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150 bytes added ,  19:09, 13 August 2021
→‎The script: take away POSITION from REFINE(CORRECT) if electron diffraction data
Line 175: Line 175:  
SEPMIN=7.0
 
SEPMIN=7.0
 
CLUSTER_RADIUS=3.5
 
CLUSTER_RADIUS=3.5
 +
REFINE_CORRECT="CELL BEAM ORIENTATION AXIS POSITION ! Default is: refine everything"
    
dname=`echo "$1" | xargs dirname`
 
dname=`echo "$1" | xargs dirname`
Line 500: Line 501:  
   echo --- For TIMEPIX detector, please fix ROTATION_AXIS yourself!
 
   echo --- For TIMEPIX detector, please fix ROTATION_AXIS yourself!
 
   DIRECTION_OF_DETECTOR_X_AXIS="1 0 0"  
 
   DIRECTION_OF_DETECTOR_X_AXIS="1 0 0"  
 +
  REFINE_CORRECT="ORIENTATION CELL AXIS BEAM ! for ED, no POSITION when CELL is refined"
    
elif [ "$DET" == "pilatus" ]; then
 
elif [ "$DET" == "pilatus" ]; then
Line 962: Line 964:  
! however, if the spots from COLSPOT extend to 2A then POSITION could, and if 1.5A POSITION should be refined
 
! however, if the spots from COLSPOT extend to 2A then POSITION could, and if 1.5A POSITION should be refined
 
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS  ! add POSITION if high resolution, or DETECTOR_DISTANCE inaccurate
 
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS  ! add POSITION if high resolution, or DETECTOR_DISTANCE inaccurate
REFINE(INTEGRATE)= POSITION BEAM ORIENTATION ! AXIS CELL . If 1.5A or higher it is ok to refine CELL
+
REFINE(INTEGRATE)= POSITION BEAM ORIENTATION ! AXIS CELL . If 1.5A or higher it is ok to refine CELL (unless electron diffraction)
! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS POSITION ! Default is: refine everything
+
REFINE(CORRECT)= $REFINE_CORRECT
 
   
! parameters specifically for this detector and beamline:
 
! parameters specifically for this detector and beamline:
 
DETECTOR= $DETECTOR
 
DETECTOR= $DETECTOR
2,492

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