[phenixbb] "outshell" and "the highest resolution shell"
Nathaniel Echols
nechols at lbl.gov
Mon Apr 30 08:26:10 PDT 2012
Correct, assuming that the high resolution used in data processing is
the same as the high resolution used for refinement.
-Nat
On Mon, Apr 30, 2012 at 1:22 AM, Dialing Pretty <hdc123hdc123 at yahoo.com> wrote:
> Dear All,
>
> Following is a table of x-ray data analysis. In it the "Outershell" is same
> as "the highest resolution shell" in the table 1 of crystallography paper,
> am I right?
>
> I am looking forward to getting a reply from you.
>
> Cheers,
>
> Dialing
>
>
>
> Overall InnerShell
> OuterShell
> Low resolution limit 77.381 77.381
> 1.669
> High resolution limit 1.663 7.718
> 1.663
>
>
> Rmerge 0.059 0.031
> 0.586
> Ranom 0.057 0.028
> 0.561
> Rmeas (within I+/I-) 0.062 0.031
> 0.625
> Rmeas (all I+ & I-) 0.062 0.032
> 0.620
> Rpim (within I+/I-) 0.023 0.012
> 0.271
> Rpim (all I+ & I-) 0.017 0.010
> 0.196
> Total number of observations 171554 1803
> 810
> Total number unique 13699 181
> 88
> Mean(I)/sd(I) 32.4 46.5
> 4.6
> Completeness 98.0 100.0
> 70.4
> Multiplicity 12.5 10.0
> 9.2
>
>
>
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