Re: [phenixbb] "outshell" and "the highest resolution shell"

On Mon, Apr 30, 2012 at 1:49 PM, Pavel Afonine wrote:

IMO reporting statistics in "Outer shell" or in  "the highest resolution shell" doesn't really make sense for obvious reasons which don't need to be explained unless one wants to summarize a crystallography text book in an email.

I disagree - for the data processing it is very relevant to know what these statistics are, otherwise one has very little idea what the criteria used to determine "resolution" were. For refinement it is perhaps less essential; the R-factors in the outer shell will almost always be somewhat higher than the values for the entire dataset, but this rarely tells you anything. -Nat