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Hi Blaine,<br>
<br>
key functionality for this is the method of Miller array class
called mean_phase_error, see:<br>
<br>
cctbx/miller/__init__.py .<br>
<br>
Unit and regression tests are best usage examples most of the time.
In this case see:<br>
<br>
cctbx/regression/tst_miller.py .<br>
<br>
Let me know if you have any questions.<br>
<br>
I don't have a good grasp of phase error value as a quality measure.
For example, I do not know what number is good, what is poor, etc. I
think to some extent what you are trying to do can be converted to
Fourier map comparison: just compute two maps, each one using
identical amplitudes and two different sets of phases, and then
compare maps. To me at least the map CC is a more telling metric.<br>
<br>
However, map comparison is tricky too (usual map CC may be
misleading!) and you need to use proper metrics, as explained in
details here:<br>
<br>
Acta Cryst. (2014). D70, 2593-2606.<br>
Metrics for comparison of crystallographic maps<br>
A. Urzhumtsev, P. V. Afonine, V. Y. Lunin, T. C. Terwilliger and P.
D. Adams<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 12/2/14 9:20 AM, Mooers, Blaine H.M.
(HSC) wrote:<br>
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cite="mid:87DCC6C40B22804192B6892E6429EC5F18C6421A@COUNTACH.hsc.net.ou.edu"
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<div style="direction: ltr;font-family: Tahoma;color:
#000000;font-size: 10pt;">Dear CCTBXBB,<br>
<br>
I want to compare the phases from the final refined model and a
set of experimental phases<br>
to calculate the weighted mean phase error.<br>
<br>
How do I this using python?<br>
<div><br>
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<div class="PlainText">Best regards,<br>
<br>
Blaine<br>
<br>
Blaine Mooers, Ph.D.<br>
Assistant Professor<br>
Department of Biochemistry and Molecular Biology<br>
University of Oklahoma Health Sciences Center<br>
S.L. Young Biomedical Research Center Rm. 466<br>
<br>
Shipping address:<br>
� <br>
<br>
office: (405) 271-8300�� lab: (405) 271-8313�
fax:� (405) 271-3910<br>
e-mail:� <a class="moz-txt-link-abbreviated" href="mailto:blaine-mooers@ouhsc.edu">blaine-mooers@ouhsc.edu</a><br>
<br>
Faculty webpage:
<a class="moz-txt-link-freetext" href="http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/faculty/blaine-mooers-ph-d">http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/faculty/blaine-mooers-ph-d</a>-</div>
<div class="PlainText"><br>
</div>
<div class="PlainText">Small Angle Scattering
webpage:
<a class="moz-txt-link-freetext" href="http://www.oumedicine.com/docs/default-source/ad-biochemistry-workfiles/small-angle-scattering-links-27aug2014.html?sfvrsn=0">http://www.oumedicine.com/docs/default-source/ad-biochemistry-workfiles/small-angle-scattering-links-27aug2014.html?sfvrsn=0</a><br>
<br>
X-ray lab webpage:
<a class="moz-txt-link-freetext" href="http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/department-facilities/macromolecular-crystallography-laboratory">http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/department-facilities/macromolecular-crystallography-laboratory</a><br>
<br>
<br>
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