Re: [ccp4bb]: Indexing problem: SUMMARY

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

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Konstantinos Beis wrote:
> 
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> 
> Dear All,
> Thank you for your responses regarding my indexing problem. I have included
> a brief summary of the suggestions that I received.
> 
>  >Bart Hazes and Laurent Maveyraud :
> process data in P1 and then run a self rotation and self translation on the
> data to see what symmetry is present. Calculate Mathew's volumes.
> 
>  >Eleanor Dodson:
> hklview plots of the P1 data to see symmetry
> 
>  >Steve Prince
> There are a couple of extra R-factors calculated by scala which include
> some sort of multiplicity weighting - these might be a better indicator
> between the choices you have. For me the clincher is the significance
> (I/sigI), if you merge reflections which are truly equivalent then sigI
> ought to be reduced
> 
>  >Frank Vondelft
> Rmerge in the lowest bin is a useful indicator for the spacegroup, because
> I tend to be liberal in what I include as "data", said he, donning a
> bulletproof vest. But if possible try to get more redundant data in P1, so
> that the scaling comparison makes more sense.
> 
> Even though, I tried all the above, nothing really clear came out. It seems
> that my space group is P1 at the moment. The problem that I will have to
> phase now is to locate all the dimmers in the a.u. (expect 12-16 from
> Matthews coef.!).
> 


 It sounds scary but they will probably obey pseudo crystallographic
packing, and you can analyse the interesting differences!
Eleanor