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 Biotechnology
University of Helsinki
Viikinkaari 1 (P.O. Box 65)
00014 Helsinki, Finland
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