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Re: [ccp4bb] question about processing data

 

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CCP4bb <-- 2008 <-- March 2008 <-- 17 March 2008
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Subject: Re: question about processing data
From: James Stroud jstroud {- at -} MBI {- dot -} UCLA {- dot -} EDU
Date: 2008-03-17
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Subject: Re: question about processing data
From: Melody Lin xtalin2007 {- at -} GMAIL {- dot -} COM
Date: 2008-03-17


Subject: Re: question about processing data
From: Partha Chakrabarti ppchak {- at -} GMAIL {- dot -} COM
Date: 2008-03-17

Hi Melody,

There was a nice discussion in this year's ccp4 study weekend. In
general, one needs to consider several factors.. If you were at 3A, or
low symmetry, you would of course try to get the maximum out of it, on
the other hand, there are requirements for experimental phasing.. in
general, judge it from:

1. Completeness
2. Redundancy
3. I / Sigma
4. R merge statistics

Not just one of them. If you are pushing it too far, you will see the
effect in later refinement step..
With 74% completeness, how does the other parameters look like?

HTH, Partha


On Mon, Mar 17, 2008 at 10:06 AM, Melody Lin wrote:
> Hi all,
>
> I have always been wondering... for a data set diffracting to say 2.15
> Angstrom but in the highest resolution shell (2.25-2.15) the completeness is
> 74%, should I use merge all the data and call it a 2.15 A dataset or I
> should cut the data set to say 2.25 A where the highest resolution shell has
> better completeness (>85%)? What is an acceptable completeness value for the
> highest resolution shell?
>
> Thank you.
>
> Best,
> Melody
>



--
MRC National Institute for Medical Research
Division of Molecular Structure
The Ridgeway, NW7 1AA, UK
Email: pchakra@nimr.mrc.ac.uk
Phone: + 44 208 816 2515




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