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 : l.m.j.kroon-batenb...@uu.nl phone : +31-30-2532865 fax : +31-30-2533940 ________________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Kajander, Tommi A [tommi.kajan...@helsinki.fi] Sent: Monday, July 16, 2018 10:55 PM To: CCP4BB@JISCMAIL.AC.UK 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 --- Tommi Kajander, Ph.D. Structural Biology and Biophysics Institute of Biotechnology University of Helsinki Viikinkaari 1 (P.O. Box 65) 00014 Helsinki, Finland ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
