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Re: [ccp4bb] Scale factor in ccp4
 

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CCP4bb <-- 2007 <-- March 2007 <-- 22 March 2007
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Subject: Re: Scale factor in ccp4
From: Johan Turkenburg jpt {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-22 		Next message:
Subject: Workshop: Macromolecular Crystallography at PETRA III
From: Michele Cianci michele {- dot -} cianci {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-03-22


Subject: Re: Scale factor in ccp4
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2007-03-22
A less convoluted method is to read both .sca files into xprep, scale
them together and write out the combined .sca file.

George

Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-3021 or -3068
Fax. +49-551-39-2582


On Thu, 22 Mar 2007, Eleanor Dodson wrote:

> When youu run scalepack2mtz the GUI always follows this by TRUNCATE to convert
> Is to Fs
>
> At that stage there is an attempt to put the data on roughly an absolute
> scale, either using the NRES you gave as input or if that is not set, I think
> assuming 50% of the cell volume is protein.
> Anyway the scales WILL be different after TRUNCATE.
>
> If you want to scale them together more carefully you will need to run cad,
> then SCALEIT ( on the GUI undr exptl phases)
> THEN convert each I1 and I2 back to a sca file ..
>
> Seems a lot of trouble! Why do you need this?
>
> Eleanor
>
> yang li wrote:
> > Hi:
> > I have two set of data from the same crystal with the names 1.sca and
> > 2.sca,
> > they have different Intensity values due to different scale factors.
> > Now I use Scalepack2mtz
> > convert them to 1.mtz and 2.mtz, then use cad to merge to a cad.mtz, then
> > convert it to cad.sca file, I find that the Intensity values in this
> > cad.sca arediffrent from
> > 1.sca and 2.sca, I wonder if the program has scaled the values itself?
> > If that is true,
> > which program did this, Scalepack2mtz or cad?
> > Thanks!
> >
> > Li Yang
> >
> >
>

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CCP4bb <-- 2007 <-- March 2007 <-- 22 March 2007
Previous message:
Subject: Re: Scale factor in ccp4
From: Johan Turkenburg jpt {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-22 		Next message:
Subject: Workshop: Macromolecular Crystallography at PETRA III
From: Michele Cianci michele {- dot -} cianci {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-03-22


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