[phenixbb] data used in refinement

Karolina Michalska dziuba at amu.edu.pl
Mon Feb 1 04:59:27 PST 2010

Thanks. I found them. I was looking for rejections in a wrong place of
the log file.


On 1/2/2010, "Schubert, Carsten [PRDUS]" <CSCHUBER at its.jnj.com> wrote:

>check your refinement logfile. As far as I know, Phenix does some Wilson
>outlier rejections, which may account for the missing reflections.
>	Carsten
>> -----Original Message-----
>> From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-
>> bounces at phenix-online.org] On Behalf Of Karolina Michalska
>> Sent: Monday, February 01, 2010 6:18 AM
>> To: phenixbb at phenix-online.org
>> Subject: [phenixbb] data used in refinement
>> 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
>> with them. Can anyone help me here?
>> Karolina
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