On 17 Jul 2018, at 21:53, Murpholino Peligro <[log in to unmask]> wrote:

Link provided not working. Need the http prefix, like this http://www.crystal.chem.uu.nl/distr/eval/

El mar., 17 de jul. de 2018 a la(s) 11:24, Kroon-Batenburg, L.M.J. (Louise) ([log in to unmask]) escribió:

Dear Tommi,
You may want to try EVAL: www. cryst.chem.uu.nl/distr/eval
EVAL can deconvolute reflections from multiple lattices.

Best wishes
Loes

___________________________________________________________

Dr. Loes Kroon-Batenburg

Dept. of Crystal and Structural Chemistry
Bijvoet Center for Biomolecular Research
Utrecht University
Padualaan 8, 3584 CH Utrecht
The Netherlands

E-mail : [log in to unmask]
phone  : +31-30-2532865
fax    : +31-30-2533940

________________________________________
From: CCP4 bulletin board [[log in to unmask]] on behalf of Kajander, Tommi A [[log in to unmask]]
Sent: Monday, July 16, 2018 10:55 PM
To: [log in to unmask]
Subject: [ccp4bb] data processing with split/bad crystals

Dear All,

I was wondering what would be the best software nowadays to try to process data from crystal that clearly is split or
has a secondary set of lattice points (close, poor data) in the raw data - data can be processed with XDS (2.9-2.8 Å) but Rmerge tends to be
bit high at low resolution (close to 7-8% depending on processing) - using XSCALE helps with the radiation damage correction some what.

Data looks like primitive orthorombic but not quite sure (also seems like it has one screw axis e.g. P2212 - but oddly phaser finds
solutions in P22121 also or even preferably…..). I am wondering a bit if it isn’t actually monoclinic.

Based on automated processing by Diamond pipeline XDS seems most robust - but any hints on such cases would
be welcome. Of course we will try to get better crystal but so far no luck.

Thanks for comments,

Best
Tommi



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Tommi Kajander, Ph.D.
Structural Biology and Biophysics
Institute of Biotechnology
University of Helsinki
Viikinkaari 1 (P.O. Box 65)
00014 Helsinki, Finland



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