[cctbxbb] unmerged data as mtz object

[Robert Oeffner]

Hi,

Does anybody know how to convert a miller array of unmerged data to an 
mtz object? For merged data I do something like this:

mtzobj = millarr.as_mtz_dataset(column_root_label="I")

But if millarr contains multiple observations with the same hkl index. 
Then the above code fails with the exception

cctbx Error: Duplicate entries in miller_indices array.

Any suggestions?

Many thanks,

Rob



-- 
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
The Keith Peters Building
Hills Road
Cambridge CB2 0XY
www.cimr.cam.ac.uk/investigators/read/index.html
tel: +44(0)1223 763234



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