CrysAlisPro would be my best bet. It has an option for multicystals and twinning. Also it offers a very good visual tools to see any relationships between multiple lattices, if they have.
Rangana On Mon, 16 Jul 2018 at 22:16 Andreas Förster <docandr...@gmail.com> wrote: > Dear Tommi, > > DIALS is good with multiple lattices. It might not have given you best > results as part of the Diamond pipeline, but give it a try with the > max_lattices=2 parameter during dials.index and see where it takes you. > > That said, you'll end up with worse statistics if you have two lattices. > Don't expect magic from your processing programs. > > All best. > > > Andreas > > > > On 16/07/2018 10:55, Kajander, Tommi A wrote: > > 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 Biot > <https://maps.google.com/?q=itute+of+Biot&entry=gmail&source=g>echnology > > 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 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
