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[ccp4bb] XDS and overlaps
 

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CCP4bb <-- 2008 <-- February 2008 <-- 20 February 2008
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From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
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From: Antony Oliver Antony {- dot -} Oliver {- at -} ICR {- dot -} AC {- dot -} UK
Date: 2008-02-20


Subject: XDS and overlaps
From: Engin Ozkan eozkan {- at -} STANFORD {- dot -} EDU
Date: 2008-02-20
Hi everyone,

I have been recently relying on XDS quite a bit, but at the same time
worrying about how XDS treats overlaps. We had one dataset that both
HKL2000 and Mosflm would show to have severe overlaps, as expected due
to unit cell parameters and the unfortunate crystal orientation in the
loop. We always ended up with completeness percentages in the 70's.

XDS can find the same lattice, index and scale the data, but yields a
100% complete mtz (and a nice structure). Without the HKL/Mosflm-like
GUI, it is difficult to assess the fate of the overlapped observations
in XDS. What I could see with VIEW was that some observations were being
divided into several ovals, probably different reflections, but I'm not
very certain.

So, the basic question is, how does XDS treat overlaps? I could not
find in the documentation an answer to this question; the single mention
of overlaps I could find tells me that XDS can recognize overlaps, but
does not tell me if it rejects them, or divvies them up into separate
reflections, and if that is the case, how does it divide them, and how
reliable is that? Depending on how it divides the overlaps, could that
affect commonly-used intensity stats and distributions?

Thanks,

Engin

CCP4bb navigation

CCP4bb <-- 2008 <-- February 2008 <-- 20 February 2008
Previous message:
Subject: Re: Vista
From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2008-02-20 		Next message:
Subject: Re: Vista
From: Antony Oliver Antony {- dot -} Oliver {- at -} ICR {- dot -} AC {- dot -} UK
Date: 2008-02-20


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