[cctbxbb] Question about sigma(I) calculation in merge_equivalents

Keitaro Yamashita yamashita at castor.sci.hokudai.ac.jp
Thu Sep 6 02:12:22 PDT 2012


Dear Luc,

Thank you for your kindness. I didn't know tex documents are included in cctbx!
I'm trying to understand it.

But it is still unclear to me why it takes the greatest of the
"internal" variance and "external" variance.
Is it based on some tests using real data? or is it theoretically
superior to using always external variance?
I would like to know how this method affects further crystallographic process.

Keitaro

2012/9/5 Luc Bourhis <luc_j_bourhis at mac.com>:
>
> Dear Keitaro,
>
>> I would like to know the theory of this sigma calculation in CCTBX.
>
> That theory is written up in a file you can find in the source distribution of the CCTBX, cctbx/miller/equivalent_reflection_merging.tex. For your convenience I have also attached the resulting PDF.
>
> Best wishes,
>
> Luc J. Bourhis
>
>
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