Re: [ccp4bb] Anomalous correlation plot in scala

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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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

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Subject: Re: mtz library in windows
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-10-01

Subject: Re: Anomalous correlation plot in scala
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2008-10-01

Dear Daniele,

you could 'misuse' RSTATS:

cad hklin1 data1.mtz hklin2 data2.mtz hklout cad.mtz <LABI FILE 1 E1=DANO E2=SIGDANO
LABO FILE 1 E1=DANO1 E2=SIGDANO2
LABI FILE 2 E1=DANO E2=SIGDANO
LABO FILE 2 E1=DANO2 E2=SIGDANO2
e
rstats hklin cad.mtz <LABI FP=DANO1 SIGFP=SIGDANO1 FC=DANO2 SIGFC=SIGDANO2
NOAB
CYCL 0
OUTP NOHKL
END
e

_should_ work and give you those tables ...

Or use SFTOOLS on that cad.mtz with the "CORREL" command.

Cheers

Clemens

On Wed, Oct 01, 2008 at 09:30:32AM +0200, Daniele de Sanctis wrote:
> Dear all,
>
> I'm analyzing some SAD data sets and I would like to compare them in
> terms of anomalous correlation. Is there a way in scala (or in some
> other program) to calculate a correlation plot like the
> file_correlplot.xmgr using two different data sets (or better two
> different runs) instead of having scala using the randomly generated
> two-half data sets ?
>
> Cheers
>
> Daniele
>
>
>
> --
> Daniele de Sanctis, PhD
>
> Macromolecular Crystallography Group
> ESRF, Grenoble, France
> Tel 33 (0)4 76 88 2869

--

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*
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* Cambridge CB3 0AX, UK
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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Next message:
Subject: Re: mtz library in windows
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-10-01