Hi Oli, the code that does this is quite old and the logic behind it is described here: https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CCN... I can look into glitches in your specific example if you send me all inputs. Pavel On 12/20/21 12:58, Oliver Clarke wrote:
Hi,
While refining an X-ray structure using phenix.refine (v1.20-4444), I get the attached table during real-space refinement of coordinates. What are the criteria for selecting the correct weighting factor?
I assumed it would be the delta between R/Rfree and/or the clash score, but it doesn't seem to exactly match either in this table (and the same for other iterations of refinement). Is it just incorrectly writing the clash score in the "Accepted refinement result" line? Shouldn't this match the line from the selected weight (here 0.125 so should be 6.1, not 7.1)?
Cheers Oli
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