[buster-discuss] aP_scale for multiple crystals
Francis Reyes
Francis.Reyes at Colorado.EDU
Mon May 5 17:23:34 CEST 2014
Hi all,
I'm reading https://www.globalphasing.com/autoproc/wiki/index.cgi?ExampleUsage#combine with regard to performing scaling using multiple crystals.
I have pointless output (from mosflm runs) of each crystal. I use combine_files to ensure consistent indexing and to output a single mtz with (in this case) three batches corresponding to three crystals.
The steps after this on the wiki:
[1] Use a constant scale factor and specifying each batch separately.
[2] Try smooth scale factors as a function of rotation "ROTATION SPACING" etc.
In both cases, by specifying each batch separately, what is happening?
Are the scale factors determined by ensuring [1] corresponding reflections in each dataset are similar AND [2] that their symmetry related reflections within each dataset are similar?
At the end of this run, I obtain three separate files (each corresponding to different batches). However, I would like a single file consisting of the most complete dataset ? Would I specify -b 1000-4000?
Thanks,
F
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