Hi all,

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)

Cheers

From: Nathaniel Echols [mailto:[email protected]]
Sent: Tuesday, 25 February 2014 10:21 a.m.
To: Joel Tyndall
Cc: [email protected]
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?

-Nat

On Mon, Feb 24, 2014 at 1:17 PM, Joel Tyndall <[email protected]> wrote:

Hi all,

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

_________________________________

Joel Tyndall, PhD

Associate Professor in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand

Skype: jtyndall

Ph: +64 3 479 7293

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