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935 bytes added ,  18:55, 9 September 2016
→‎IDXREF produces too short cell parameter(s): Difference vectors are neither half nor integers
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The reason for the indexing failure in these cases seems to be the fact that the crystal changed its orientation within the SPOT_RANGE by more than ~ 0.1°.
 
The reason for the indexing failure in these cases seems to be the fact that the crystal changed its orientation within the SPOT_RANGE by more than ~ 0.1°.
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'''The other reason for this failure mode''' - but in this case there is only one SUBTREE with high POPULATION - is when the default <code>SEPMIN= 6.00 CLUSTER_RADIUS= 3</code> are used, but the spots are closer than 6 pixels. This often happens with Pilatus data; the recommendation for this detector is to use <code>SEPMIN= 4.00 CLUSTER_RADIUS= 2</code> in XDS.INP, or even <code>SEPMIN= 3.00 CLUSTER_RADIUS= 1</code>.
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'''The other reason for this failure mode''' - but in this case there is only one SUBTREE with high POPULATION - is when the default <code>SEPMIN= 6.00 CLUSTER_RADIUS= 3</code> are used, but the spots are closer than 6 pixels. This often happens with Pilatus data; the recommendation for this detector is to use <code>SEPMIN= 4.00 CLUSTER_RADIUS= 2</code> in XDS.INP, or even <code>SEPMIN= 2.00 CLUSTER_RADIUS= 1</code>.
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== Difference vectors are neither integers nor halfs ==
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  #  COORDINATES OF VECTOR CLUSTER  FREQUENCY      CLUSTER INDICES
 +
    1  0.0090336-0.0044767 0.0137041    1636.      0.99      0.99    -0.00
 +
    2 -0.0239422 0.0085088 0.0078304    1556.    -2.00      1.00      0.00
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    3  0.0088799 0.0092726 0.0077661    1555.      0.50      0.50    -0.56
 +
    4 -0.0000164 0.0138382-0.0058215    1486.    -0.49    -0.49    -0.56    <---- 0.56 is neither close to 0.5 nor to 0 or 1
 +
    5 -0.0148222 0.0040131 0.0216634    1468.    -1.00      2.00    -0.00
 +
    6  0.0098829 0.0070246-0.0042191    1430.      0.50    -0.50    -0.44    <---- same here
 +
    7 -0.0030325 0.0110238 0.0056577    1422.    -0.50      0.50    -0.44    <----  and here
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...
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If it is not a case of SEPMIN and CLUSTER_RADIUS being too large (see above), try to increase INDEX_ERROR - in this case, it indexes beautifully with INDEX_ERROR=0.14 .
    
=== IDXREF produces too long axes ===
 
=== IDXREF produces too long axes ===
2,450

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