Re: [ccp4bb]: Indexing problem: SUMMARY

[Konstantinos Beis <kb11@st-andrews.ac.uk>]

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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.!).


Thanks,
Kostas



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Konstantinos Beis
Centre for Biomolecular Sciences
University of St Andrews
North Haugh
St Andrews
FIFE KY16 9ST


tel: +44 1334 427265
email: kb11@st-andrews.ac.uk

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