[phenixbb] R-merge

Gino Cingolani Gino.Cingolani at jefferson.edu
Wed May 29 20:43:32 PDT 2013


you are taking my words out of context. If you read my entire post ....:

"I would try to determine if there’s meaningful signal in your outer shell. You can try three things:
1. Calculate a precision-indicating merging R factor (Rpim)2
2.  (if you have ncs) calculate a self-rotation function using outer shell data only and see if you have meaningful information
3. Scale less data together (although this may hurt your completeness depending on space group)

I'm not referring to cutting off data for refinement. I'm suggesting to analyze diffraction data before throwing them blindly in refinement,
especially when the Rsym is that high. Scaling smaller batches of data is a simple way to detect problems such as radiation damages,
change in unit cell parameters (quite common for large unit cell crystals), problems with detector, build up of ice, etc.

Gino Cingolani, Ph.D.
Associate Professor
Thomas Jefferson University
Dept. of Biochemistry & Molecular Biology
233 South 10th Street - Room 826
Philadelphia PA 19107
Office (215) 503 4573
Lab (215) 503 4595
Fax (215) 923 2117
E-mail: gino.cingolani at jefferson.edu
Website: http://www.cingolanilab.org
"Nati non foste per viver come bruti, ma per seguir virtute e canoscenza"
("You were not born to live like brutes, but to follow virtue and knowledge") Dante,
The Divine Comedy (Inferno, XXVI, vv. 119-120)

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Ed Pozharski [epozh001 at umaryland.edu]

Sent: Wednesday, May 29, 2013 10:28 PM

To: PHENIX user mailing list

Subject: Re: [phenixbb] R-merge

On 05/29/2013 05:48 PM, Gino Cingolani wrote:

Scale less data together

This seems a complete opposite of what an experimentalist should do (more data -> better, assuming no radiation damage). Can we give Rmerge proper burial at last?

Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs

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