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Re: [ccp4bb] Bin Number (0 -19) Put in Mtz file in Place of Rfree Flag -and- 5MC in DNA
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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Bin Number (0 -19) Put in Mtz file in Place of Rfree Flag -and- 5MC in DNA
From: "John R {- dot -} Horton" jrhorto {- at -} EMORY {- dot -} EDU
Date: 2008-10-01		Next message:
Subject: Re: Anomalous correlation plot in scala
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2008-10-01


Subject: Re: Bin Number (0 -19) Put in Mtz file in Place of Rfree Flag -and- 5MC in DNA
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-10-01

John R. Horton wrote:
> I've tried several ways to get an Rfree flag into my mtz
> file...converting from a CNS to mtz (with existing flags) and scalepack
> to mtz and etc etc...with the same result, i.e. that the "bin number"
> that the reflection is in (0-19) is put in mtz file as the Rfree flag
> and not 0 or 1. I was wondering if this has to do with array size or
> something. This is a 1.42A dataset with 125982 reflections.

In MTZ files, free-R flags are usually from 0-19 (or 0-N, if you are not
using a 5% free set).

There is a good reason for this - if you are not sure whether your FreeR
is meaningful or not, you can re-run your structure solution using a
different, non-overlapping FreeR set just by telling each individual
program to use a set other than 0 as the test set. By this means you can
do a full cross-validation.

Has anyone ever used this in practice? I don't know. But it is a good
design feature.

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Bin Number (0 -19) Put in Mtz file in Place of Rfree Flag -and- 5MC in DNA
From: "John R {- dot -} Horton" jrhorto {- at -} EMORY {- dot -} EDU
Date: 2008-10-01		Next message:
Subject: Re: Anomalous correlation plot in scala
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2008-10-01
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