Re: [ccp4bb]: How to merge raw data?

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Anita Bentley wrote:
> 
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> 
> Hi,
>     I have trouble putting together data treated with different programmes:
> one dataset was treated using MOSFLM (1),
> the other using DENZO (York output, un-merged intensities) (2).
>     The resulting mtz files do not have the same number of columns
> (file (1) has 4 extra columns, ROT, WIDTH, LP, MPART).
> When I use the CCP4i (GUI) option "Sort/reindex MTZ files", SORTMTZ fails.
> COMBAT refuses to convert file (1) into anything else. MTZUTILS does
> not seem to work on this type of MTZ file.
>      Any suggestions - scripts that work?
>                 Thanks!
>              Anita
> Anita Lewit-Bentley
> 
> LURE,
> Centre Universitaire Paris-Sud
> B.P. 34, 91898 ORSAY Cedex
> France
> 
> tel. :             (33) 1 64 46 80 50
> FAX:           (33) 1 64 46 41 48

Oh dear.. - you certainly cant sort together files with different
numbers of columns..


 But first - it isnt a good idea to merge DENZO output - run scalepack
after DENZO to do the post refinement then and output scaled add
partials original indices.
These can then be read into COMBAT.  DENZO assigns each image its own
"cell", hence treats partials rather differently to MOSFLM and you can
get some weird effects..

 Second: the easy way out is to strip the WIDTH, LP, MPART columns out
of the mosflm output using mtzutils.

Third: Ask ccp4@dl.acuk to fix it... I am sure they can and will.
E