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

The problem is the journals sometimes specify the content of Table 1. There might be more room for this if It is supplemental table 1. I bet if you make it a GUI feature (table 1 vs extended supplemental table 1 option) it will catch on fast. Kendall On Apr 30, 2012, at 5:17 PM, Pavel Afonine wrote:

Sure, but then at least one needs to clearly define what exactly is "Outer shell" and "highest resolution shell". I can come up with gazillions ways of defining the "highest resolution shell" and depending on how I define it the numbers will be vastly different. In general it may be a good idea to define what exactly you want to calculate first before cranking the machine to get some numbers. In this sense reporting statistics in resolution bins contains both - the definition and desired numbers.

Pavel

On 4/30/12 1:58 PM, Nathaniel Echols wrote:

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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

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

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