Re: [ccp4bb] data processing with split/bad crystals

2018-07-22 Thread Kajander, Tommi A
helsinki.fi<mailto:tommi.kajan...@helsinki.fi>] Sent: Monday, July 16, 2018 10:55 PM To: CCP4BB@JISCMAIL.AC.UK<mailto: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 proces

Re: [ccp4bb] data processing with split/bad crystals

2018-07-22 Thread Kajander, Tommi A
helsinki.fi<mailto:tommi.kajan...@helsinki.fi>] Sent: Monday, July 16, 2018 10:55 PM To: CCP4BB@JISCMAIL.AC.UK<mailto: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 proces

Re: [ccp4bb] data processing with split/bad crystals

2018-07-17 Thread Murpholino Peligro
lf 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 >

Re: [ccp4bb] data processing with split/bad crystals

2018-07-17 Thread Kroon-Batenburg, L.M.J. (Louise)
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

Re: [ccp4bb] data processing with split/bad crystals

2018-07-17 Thread CCP4BB
> > > From: CCP4 bulletin board on behalf of Andreas > Förster > Sent: 16 July 2018 22:14:49 > To: ccp4bb > Subject: Re: [ccp4bb] data processing with split/bad crystals > > Dear Tommi, > > DIALS is good with multiple lattices. It mi

Re: [ccp4bb] data processing with split/bad crystals

2018-07-16 Thread graeme.win...@diamond.ac.uk
wishes Graeme From: CCP4 bulletin board on behalf of Andreas Förster Sent: 16 July 2018 22:14:49 To: ccp4bb Subject: Re: [ccp4bb] data processing with split/bad crystals Dear Tommi, DIALS is good with multiple lattices. It might not have given you best results

Re: [ccp4bb] data processing with split/bad crystals

2018-07-16 Thread Rangana Warshamanage
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 wrote: > Dear Tommi, > > DIALS is good with multiple

Re: [ccp4bb] data processing with split/bad crystals

2018-07-16 Thread Andreas Förster
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

Re: [ccp4bb] data processing with split/bad crystals

2018-07-16 Thread Tim Gruene
Dear Tommi, saint (Part of the Bruker APEX/Proteum suite) can integrate with, I think, up to five orientation matrices at a time. It integrates smoothly with twinabs. Saint seems quite sophisticated in modelling the reflection profiles from the different lattices. EvalCCD (Eval15?) may be able

[ccp4bb] data processing with split/bad crystals

2018-07-16 Thread Kajander, Tommi A
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