Dear Aleks
I would say the easiest thing to do is to rerun xia2 from all of the original data. If it's still on dusk here at diamond I will be happy to help with this. Please feel free to send details off list
Best wishes Graeme
On 24 Sep 2015, at 16:57, Aleksander Roszak <[log in to unmask]<mailto:[log in to unmask]>> wrote:
Dear all,
I am trying to scale together and merge the data from 5 data sets collected from two crystals using the (internally) scaled and unmerged data from the ‘xtal_scaled_unmerged.mtz’ files produced by Xia2 automated run at Diamond. All data are in P21 space group - no possible alternative indexing - and the worse deviation between the different cells is 3.096A (for the ~100A axis). Pointless doesn’t have any problem with the indexing and creates the temporary mtz file with all the data. Aimless is run subsequently but fails with the following Fatal Error message:
‘ERROR in ScaleModel: run 1 has insufficient information for smooth scaling'
Similar error stops the job with just two data sets from the same crystal.
I have used Scaling Protocol: 'with automatic default settings’ and have not modified Scaling Details.
Obviously, I am doing something wrong, could anybody suggest how I could correct this fault?
Thanks,
Aleks Roszak
University of Glasgow
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