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

Pavel Afonine pafonine at lbl.gov
Wed Feb 11 22:08:07 PST 2015


P.S.:

> How meaningful are the second derivative based estimates obtained via 
> full matrix inversion when the gradient is not 0 (i.e. when not in the 
> minimum)?

I think this is one of the key questions to ask! Very good one!

Pavel





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