[phenixbb] Reducing R/R-free

[George Devaniranjan]

Hi,

I am sorry to ask another question, this is related to the above hence
following up on this thread.

I can calculate R/R-free using the validation tool but how does one
calculate the

R factors for the highest resolution shell ?

Thank you,
George



On Tue, Jan 13, 2015 at 2:31 AM, Tim Gruene <tg at shelx.uni-ac.gwdg.de> wrote:

> Hi Pavel,
>
> I was puzzled and misled by the choice of terms and implied an intent
> that apparently wasn't there.
>
> Best,
> Tim
>
> On 01/12/2015 10:01 PM, Pavel Afonine wrote:
> > Hi Tim,
> >
> > it is a shame that I can't remember that particular paper where I think
> > Randy Read or Axel Brunger have demonstrated that phase error and Rfree
> > are well correlated. So if you get best Rwork and Rfree chances are you
> > also get best map too.
> >
> > All the best,
> > Pavel
> >
> > On 1/12/15 3:54 AM, Tim Gruene wrote:
> >> Dear George,
> >>
> >> what are the reasons why are you trying to reduce the R/Rfree instead of
> >> producing the best possible map?
> >>
> >> Best,
> >> Tim
> >>
> >> On 01/11/2015 11:24 PM, George D wrote:
> >>> Hi Phenix users,
> >>>
> >>> I was looking at the phenix-refine manual and it mentions running
> >>>
> >>> optimize_mask=true
> >>>
> >>> optimize_xyz_weight=true
> >>>
> >>> optimize_adp_weight=true
> >>>
> >>>
> >>> I was wondering what else I could try to bring the Rw/Rf down by 1-2%
> >>> if possible, just wondering if there are any other strategies I could
> >>> try.
> >>>
> >>>
> >>> Thank you,
> >>>
> >>> George
> >>>
> >>>
> >>>
> >>> _______________________________________________
> >>> phenixbb mailing list
> >>> phenixbb at phenix-online.org
> >>> http://phenix-online.org/mailman/listinfo/phenixbb
> >>>
> >>
> >>
> >> _______________________________________________
> >> phenixbb mailing list
> >> phenixbb at phenix-online.org
> >> http://phenix-online.org/mailman/listinfo/phenixbb
> >
> >
>
> --
> Dr Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
> GPG Key ID = A46BEE1A
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150113/ac0a7ab3/attachment.htm>