[phenixbb] observed reflections error?
joel.tyndall at otago.ac.nz
Tue Feb 25 12:48:37 PST 2014
Indeed this is the source of the discrepancy as we scaled our data without separating anomalous data. I am in the process of "reprocessing" with this data but another workaround is to not use the anomalous data under Data - options> advanced - no anomalous. (Thanks Boaz)
From: Nathaniel Echols [mailto:nechols at lbl.gov]
Sent: Tuesday, 25 February 2014 10:21 a.m.
To: Joel Tyndall
Cc: phenixbb at phenix-online.org
Subject: Re: [phenixbb] observed reflections error?
Unlike most other programs, phenix.refine counts F+ and F- as separate reflections if both are present in the MTZ file - could this be the source of the discrepancy?
On Mon, Feb 24, 2014 at 1:17 PM, Joel Tyndall <joel.tyndall at otago.ac.nz<mailto:joel.tyndall at otago.ac.nz>> wrote:
I have a minor issue with phenix reporting the number of observed reflections in the output pdb file where it appears to be roughly double (120080 ) to what is actually in an mtz file (~65000) from scala.
Any suggestions where this number might originate from?
Joel Tyndall, PhD
Associate Professor in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
Ph: +64 3 479 7293<tel:%2B64%203%20479%207293>
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