Re: [ccp4bb] : MTZ to SHELX question

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Subject: Re: MTZ to Shel-X?
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2007-03-05

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From: artem {- at -} XTALS {- dot -} ORG artem {- at -} XTALS {- dot -} ORG
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

Truncate does not change intensities, only amplitudes. (Why should it? )

Eleanor
The mtzvarious output will have what you want..
h k l I+
-h -k -l I-

Nat Echols wrote:
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>
>> a file containing
>> h k l I(+)
>> -h -k -l I(-)
>
> That's what I meant. However, another reply suggested that the
> intensities in the MTZ file wouldn't be the same if they'd been run
> through TRUNCATE, as these were. I don't know enough about data
> processing to understand why.
>
> It would actually be trivial to convert from the scalepack file to
> SHELX format. What I'm more concerned with is this: how do indexing
> conventions change between formats? I've done this before in P63 and
> P212121 and the reflection list in the MTZ file is not the same as in
> the scalepack file. As a result, I have no idea how to synchronize the
> Rfree flags.
>
> thanks,
> Nat
>
>

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CCP4bb <-- 2007 <-- March 2007 <-- 05 March 2007

Previous message:
Subject: Re: MTZ to Shel-X?
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2007-03-05

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Subject: Re: protease cleavage sites
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Date: 2007-03-05