[phenixbb] B iso average versus B wilson

Edward A. Berry BerryE at upstate.edu
Mon Jul 21 21:48:21 PDT 2014

I think this is very expectable. The Wilson B is calculated
from the high-resolution end of the Wilson plot, where the disorderd
loops hardly contibute, so it overweights the well-ordered atoms that
diffract strongly to high resolution.

The average atomic B weights every atom equally so the average is
more representative of all the atoms including the disordered ones.

On 07/21/2014 08:34 PM, Emily Golden wrote:
> Dear All,
> I have a 1.12 A refined structure with and average B of 11.5 but the wilson B is 6.    There are a couple of highly mobile loops and water molecules in the structure that are increasing the average B.   What is an acceptable difference between wilson B and average B?
> Thank you,
> Emily
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