[phenixbb] R-merge

Gino Cingolani Gino.Cingolani at jefferson.edu
Wed May 29 14:48:42 PDT 2013

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.    (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 your space group).

Also try Scala instead of Scalepack.

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<mailto:gino.cingolani at jefferson.edu>
Website:  http://www.cingolanilab.org<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 [mailto:phenixbb-bounces at phenix-online.org] On Behalf Of Mengbin Chen
Sent: Wednesday, May 29, 2013 5:37 PM
To: PHENIX user mailing list
Subject: [phenixbb] R-merge

Dear Phenix Users,

I have R-merge values equal 0.000 from highest resolution shell (which corresponds to values larger than 1.000) in a data set processed by HKL2000, with redundancies higher than 10 (I know this may help in increasing R-merge). I am not sure if this is going to be a problem of Table 1 for the reviewers. Could you kindly drop me your suggestions?

Thank you in advance,
Mengbin Chen

Mengbin Chen
Department of Chemistry
University of Pennsylvania

The information contained in this transmission contains privileged and confidential information. It is intended only for the use of the person named above. If you are not the intended recipient, you are hereby notified that any review, dissemination, distribution or duplication of this communication is strictly prohibited. If you are not the intended recipient, please contact the sender by reply email and destroy all copies of the original message.

CAUTION: Intended recipients should NOT use email communication for emergent or urgent health care matters.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20130529/67ee7c68/attachment.htm>

More information about the phenixbb mailing list