Re: [ccp4bb] combine incomplete data sets

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CCP4bb <-- 2008 <-- January 2008 <-- 17 January 2008

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Subject: Re: combine incomplete data sets
From: "Meyer, Peter" pameyer {- at -} MCW {- dot -} EDU
Date: 2008-01-17

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Subject: Re: combine incomplete data sets
From: Kay Diederichs Kay {- dot -} Diederichs {- at -} UNI-KONSTANZ {- dot -} DE
Date: 2008-01-17

Surely the original poster meant "alternate indexing possibilites" (as
discussed in http://www.ccp4.ac.uk/dist/html/reindexing.html; for his
space group there are indeed 2 ways to index), not "alternate origins".

Kay

Meyer, Peter schrieb:
> Doubtlessly I'm confused, but my understanding was that alternative origins would only be an issue once a dataset was phased (so that wouldn't cause problem during integrating/scaling). I'd thought that using a consistent unit cell during indexing and scaling was a separate issue.
>
> Any chance you could clear up what I'm missing?
>
> Thanks,
>
> Pete
>
>
> #################################################################################################
> This is what I would do in your position.
>
> 1) Integrate everything in MOSFLM
> 2) Enforce consistent indexing using POINTLESS (unless I am mistaken, there
> are alternative origin(s) in p321)
> http://www.ccp4.ac.uk/dist/html/alternate_origins.html
> ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/prerelease/pointless.html
> 3) Bundle ALL integrated datasets into one .mtz file (being such to make
> sure all the batch number do not conflict)(POINTLESS may do this for you
> now)
> 4) Push through SCALA/Truncate in one giant run - selecting your 'best'
> dataset as a reference.
>
> Scala should use all the reflections you give it, not just the overlapping
> ones
>
> The rejection of redundant reflections should only really be done if you
> have a very good reason - redundancy (hopefully) adds to the quality of your
> data
>
> Scala/Truncate will give you masses of stats for individual datasets, and
> how well they scale together.
>
> At the end you should get a single .mtz file containing all your reflections
> scaled together and converted to Fs.
>
> Hope this helps,
>
> David
>
>

--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: Kay.Diederichs@uni-konstanz.de Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz

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CCP4bb <-- 2008 <-- January 2008 <-- 17 January 2008

Previous message:
Subject: Re: combine incomplete data sets
From: "Meyer, Peter" pameyer {- at -} MCW {- dot -} EDU
Date: 2008-01-17

Next message:
Subject: Re: crystallisation robot
From: Lisa A Nagy lisanagy {- at -} UAB {- dot -} EDU
Date: 2008-01-17