[phenixbb] How should we estimate the "uncertainty" of the occupancy of an atom?

Tim Gruene tg at shelx.uni-ac.gwdg.de
Wed Feb 11 11:47:43 PST 2015



On 02/11/2015 07:21 PM, Pavel Afonine wrote:
> Hello Masaki,
> 
> [...]
> 3) Extract occupancies in question. They will make some distribution and
> the spread of that distribution will tell you hint you the uncertainty.

... tainted by any B-factor restraints in use

Best,
Tim

> 
> 
> 
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-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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