Dear Colleagues,
I feel sure you will be interested in this topic which I have provided an overview of here:-
Error estimates in atom coordinates and B factors in macromolecular crystallography - IUCr forums
forums.iucr.org
including a weblink to the article. I have placed this within the IUCr Forum for Public Input to the IUCr Committee on Data. The article itself is also open access.
Best wishes,
John
Emeritus Professor John R Helliwell DSc