[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


> 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!


More information about the phenixbb mailing list