Dear Justin,
Would it be possible for you to send off-list the report_staraniso.pdf
file created by your autoPROC job (or the job number of your STARANISO
submission if you used the server) so that we can examine the pattern of
data incompleteness indicated by the plots?
This would be a great help in deciding whether this incompleteness is
caused by a missing angular range or purely by anisotropy in the diffraction
limits. We would then know what kind of in-filling with Fcalc would occur
with what refinement program(s), with what consequences on the maps.
Please send this file to "proc-deve...@globalphasing.com" . Thank you!
With best wishes,
Gerard.
--
On Wed, Feb 28, 2024 at 11:21:26AM -0500, Justin Cruite wrote:
> Thanks everyone,
>
> I agree, 18.4% Rwork and Rfree is too good to be true for a 3.4 Å dataset.
> The data was processed using autoProc and the staranisano mtz was used for
> MR. The completeness is only 38%. It could be that the Rfree and Rwork
> reflection sets are small because of this? What is the best way to check
> the number of reflections used for Rwork and Rfree? Is this dataset usable
> at all?
>
> Thanks!
>
> Justin
>
> On Wed, Feb 28, 2024 at 10:21 AM nicfoos <nicf...@embl.fr> wrote:
>
> > Hello Justin,
> >
> > There is something weird in your results. You mention Rwork/Rfree of
> > 0.1837.
> > This means a pretty good refinement and also is very unusual to be
> > obtain for a resolution of 3.37.
> > Additionally you should not have Rfree = Rwork.
> > I suspect something wrong with you Rfree reflections sets. What size is
> > it ? Is your dataset complet ?
> > How did you cut the res. ?
> >
> > I hope this may help you.
> >
> > Nicolas
> >
> >
> >
> > On 2024-02-28 16:10, Justin Cruite wrote:
> > > Hi everyone,
> > >
> > > What does it mean if your Rwork and Rfree are exactly the same?
> > >
> > > I solved a 3.37 Å structure with Phaser-MR and immediately ran 10
> > > cycles of refinement with wxc = 0.1. Everything else at default. The
> > > Rwork and Rfree are both 0.1837. Is this bad?
> > >
> > > Thank you!
> > >
> > > Justin
> > >
> > > -------------------------
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