Thanks. I found them. I was looking for rejections in a wrong place of
the log file.
Karolina
On 1/2/2010, "Schubert, Carsten [PRDUS]"
Karolina,
check your refinement logfile. As far as I know, Phenix does some Wilson outlier rejections, which may account for the missing reflections.
HTH
Carsten
-----Original Message----- From: [email protected] [mailto:phenixbb- [email protected]] On Behalf Of Karolina Michalska Sent: Monday, February 01, 2010 6:18 AM To: [email protected] 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 happened with them. Can anyone help me here?
Karolina _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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