[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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