Re: [ccp4bb] : MTZ to SHELX question

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

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Subject: Re: CNS v1.2 and unwanted introduction of OXT
From: Michele Lunelli efunit {- at -} YAHOO {- dot -} IT
Date: 2007-03-05

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Subject: problems with polarrfn - CCP4 6.0.2
From: Laurent Maveyraud laurent {- dot -} maveyraud {- at -} IPBS {- dot -} FR
Date: 2007-03-05

Subject: Re: : MTZ to SHELX question
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-05

Assign LABI I(+)= etc I(-) etc
OUTP SHELX

and I think you get what you want..
Eleanor

Nat Echols wrote:
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.ccp4.ac.uk ***
>
>
>
> A coworker recently solved a structure at high resolution with
> multiple anomalous scatterers bound. He'll be using SHELXL
> eventually, and we'd like to try incorporating the anomalous
> differences (especially since he'll be refining against intensities).
> I understand how to do this from the perspective of SHELXL, but I
> don't know how to make a reflections file from what we have now. The
> MTZ file (from HKL2000->scalepack2mtz) has the columns I(+) SIGI(+)
> I(-) SIGI(-); how do I go from this to an "unmerged" set of
> reflections using mtz2various? Space group is P212121, if that matters.
>
> thanks,
> Nat
>
>

CCP4bb navigation

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

Previous message:
Subject: Re: CNS v1.2 and unwanted introduction of OXT
From: Michele Lunelli efunit {- at -} YAHOO {- dot -} IT
Date: 2007-03-05

Next message:
Subject: problems with polarrfn - CCP4 6.0.2
From: Laurent Maveyraud laurent {- dot -} maveyraud {- at -} IPBS {- dot -} FR
Date: 2007-03-05