[phenixbb] Reducing R/R-free

George D devaniranjan at gmail.com
Mon Jan 12 04:29:32 PST 2015


Dear Tim,

I am trying to produce the best map but reading in the manual I saw that
running a weight search instead of using default ones and running a solvent
mask all reduced Rw/R-free.

I was just curious to explore this aspect further that's all.

Thank you,
George

On Mon, Jan 12, 2015 at 6:54 AM, Tim Gruene <tg at shelx.uni-ac.gwdg.de> 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
> >
> >
> >
> > _______________________________________________
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> > 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
>
>
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