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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hello all-<br>
<br>
I am trying to merge a few partial Se datasets. I am certain that I will have to reindex one or more to make sure that + and - reflections are not jumbled up. Can someone confirm that xtriage take this into account in suggesting to reindex one dataset in relation
to a reference dataset? ie. does it use something like maximizing the anomalous signal in suggesting whether or not reindexing is necessary? I think the below suggests as much but I wanted confirmation:<br>
<br>
Automatic re-indexing<br>
For each data set supplied (other than the first data set given), all possible re-indexing matrices are derived as described by Grosse-Kunstleve et al. (2005). Each data set isautomatically re-indexed using the matrix that maximizes the correlation of amplitudes<br>
<br>
Have a good weekend.<br>
-Todd<br>
<br>
<br>
<br>
My Example:<br>
Reference analyses<br>
The following reindexing operators have been found:<br>
<br>
-------------------------------------------------<br>
| Operator | Correlation | matches (%) | choice |<br>
-------------------------------------------------<br>
| -k,h,l | 0.874 | 70.1 | <--- |<br>
| h,k,l | 0.032 | 76.7 | |<br>
-------------------------------------------------<br>
<br>
If the data is reindexed with operator (-k,h,l), the correlation of<br>
the intensities to the reference data is maximized. <br>
sx205b_anom.sca<br>
This can be done for instance with:<br>
phenix.reflection_file_converter sx205b_anom.sca --change_of_basis="-k,h,l" <output_options>
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