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On Thu, 2005-10-20 at 14:46 +0800, Jiamu Du wrote:
> I have collected two sets of data from two crystals. The data is
> scaled by HKL2000 and is turned from sca file to mtz file by
> Scalepack2mtz in CCP4. Both the two sets of the data have the same
> spacegroup and cell parameters. And I have gain the same molecular
> replacement result model from each single set of data. But the
> completeness of each set of data is less than 90%. Now I want merge
> the two sets of data together to improve the completeness. I have
> tried Scala to merge them. In the manual, the columns M/ISYM and
> BATCH in mtz file are needed for running Scala. But I can not find or
> add these two columns in my data. The question is how can find these
> two columns in my data to run Scala or I should scale my data with
> other methods, and if there is any other programs can merge two sets
> of data into one?
> Thank you.
For best results you should go back to HKL2000 (or SCALEPACK) to scale
the original integration output (*.x files) together. Scaling together
two already scaled sets will cause bias in weighting and rejection of
reflections.
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"He is an emissary of pity and science and progress, and devil knows
what else."- Heart of Darkness, Joseph Conrad
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
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