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119 bytes added ,  14:11, 4 September 2010
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=== none of the lattices in IDXREF.LP (except aP) has a good QUALITY OF FIT ===
 
=== none of the lattices in IDXREF.LP (except aP) has a good QUALITY OF FIT ===
   −
It is a good idea to use many frames, e.g. the first half of the DATA_RANGE, as does the [[generate_XDS.INP]] script, for the COLSPOT and IDXREF steps.  
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It is a good idea to use many frames for the SPOT_RANGE, (e.g. the first half of the DATA_RANGE, as does the [[generate_XDS.INP]] script) for the COLSPOT and IDXREF steps.  
   −
It is entirely possible to run COLSPOT for the ''full'' DATA_RANGE, and to try sub-ranges in IDXREF - this means COLSPOT has to be run only once, and the JOBS= line has e.g.  
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It is entirely possible to run COLSPOT for the ''complete'' DATA_RANGE (in that case the parameters of SPOT_RANGE are the same as for the DATA_RANGE), and to try smaller SPOT_RANGEs in IDXREF - this means COLSPOT has to be run only once, and the JOBS= line has e.g.  
 
  JOBS= IDXREF  
 
  JOBS= IDXREF  
only. Maybe some sub-range gives a clear answer. In that case it may be useful to use
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only. Maybe some SPOT_RANGE sub-range gives a clear answer. In that case it may be useful to use
 
  REFINE(INTEGRATE)=! AXIS BEAM ORIENTATION CELL DISTANCE
 
  REFINE(INTEGRATE)=! AXIS BEAM ORIENTATION CELL DISTANCE
because otherwise the spurious reflections in the other sub-ranges will probably disturb the on-the-fly refinement of parameters.
+
because otherwise the spurious reflections in the other ranges will probably disturb the on-the-fly refinement of parameters.
    
I've seen datasets where each reflection had a satellite associated with the main reflection, but separate from it. This is well visible in FRAME.cbf written by COLSPOT. In such a case it helps to use
 
I've seen datasets where each reflection had a satellite associated with the main reflection, but separate from it. This is well visible in FRAME.cbf written by COLSPOT. In such a case it helps to use
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