Re: [ccp4bb] luzzati numbers in ccp4/refmac

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Subject: luzzati numbers in ccp4/refmac
From: jbruning {- at -} SCRIPPS {- dot -} EDU
Date: 2007-03-01

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Subject: Re: luzzati numbers in ccp4/refmac
From: merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-03-01

On Thursday 01 March 2007 10:32, John Bruning wrote:
> Where can I generate the following numbers in CCP4 coming with pdb and mtz from Refmac?
>
> Luzzati SigmaA (obs)
> Luzzati ESD (R-free set)
> Luzzati SigmaA (R-free set).

The answer is that you should not be using Luzatti plots to estimate error.
(Actually, I'm not sure what "Luzatti SigmaA Rfree" means in the first
place).

You should instead use the ESU values from either Maximum Likelihood
or from the Cruickshank DPI empirical indices. These are given
in the PDB file output by refmac.

--
Ethan A Merritt Courier Deliveries: 1959 NE Pacific
Dept of Biochemistry
Health Sciences Building
University of Washington - Seattle WA 98195-7742

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CCP4bb <-- 2007 <-- March 2007 <-- 01 March 2007

Previous message:
Subject: luzzati numbers in ccp4/refmac
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Subject: Re: Extraction of test set from CNS reflection file
From: brunger {- at -} STANFORD {- dot -} EDU
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