[phenixbb] data used in refinement

Pavel Afonine PAfonine at lbl.gov
Mon Feb 1 09:22:20 PST 2010

Hi Karolina,

phenix.refine automatically removes reflection outliers. Typically it is 
a few reflections. This should be reported at the beginning of .log file.
If you still have trouble with this, then please send me the model and 
data files (directly to my email), and I will have a look and explain 
what happens.


On 2/1/10 3:18 AM, Karolina Michalska wrote:
> Hi all,
> I have a question concerning number of reflections used in refinement. In
> the phenix.refine log I can find a table saying that there are 34314
> reflections in a work set and 1104 in a free set. This is in agreement
> with what Refmac prints out to pdb file under REMARK 3 (DATA USED IN
> REFINEMENT). However, the same remark in the pdb file produced by
> phenix.refine says there are 35404, which is neither a work set nor a
> sum of work and test sets. It is almost the latter option but still 14
> reflections are missing and I cannot find in the log file what happened
> with them. Can anyone help me here?
> Karolina
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