Changes

2 bytes added ,  10:32, 28 August 2010
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If you tell XDS that you do not to know the spacegroup (SPACE_GROUP_NUMBER= 0), then [[IDXREF]] takes all observed reflections into account. By design, the spacegroup decision is then postponed until the CORRECT step, or rather to a run of [[pointless]] after CORRECT, and it may be not vital to closely inspect IDXREF.LP, because CORRECT.LP has basically the same information, plus more.
 
If you tell XDS that you do not to know the spacegroup (SPACE_GROUP_NUMBER= 0), then [[IDXREF]] takes all observed reflections into account. By design, the spacegroup decision is then postponed until the CORRECT step, or rather to a run of [[pointless]] after CORRECT, and it may be not vital to closely inspect IDXREF.LP, because CORRECT.LP has basically the same information, plus more.
   −
== 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.  
 
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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