Dear TO,
at medium to poor resolution, I prefer to set the weighting myself rather than
use the automatic weighting. At 3'ish A resolution, I would start with 0.01 or
0.005 with many more than the default 10 cycles, maybe 50 or 100. The numbers
you list below go in the other direction (>4).
Be
James,
The case you’ve chosen is not a good illustration of the relationship between
atomic B and resolution. The problem is that during scaling of Fcalc to Fobs
also B-factor difference between the two sets of numbers is minimized. In the
simplest form with two constants Koverall and Bovera
Dear all,
the arpnavigator can display the contour levels of a map ("map style plane").
Does anyone know how to change the orientation of the plane, i.e. the normal
of the cutting plane?
Best regards,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
Un
Yes, that's right. Model B factors are fit to the data. That Boverall
gets added to all atomic B factors in the model before the structure is
written out, yes?
The best estimate we have of the "true" B factor is the model B factors
we get at the end of refinement, once everything is converge
James,
> On 7 Mar 2020, at 21:01, James Holton wrote:
>
> Yes, that's right. Model B factors are fit to the data. That Boverall gets
> added to all atomic B factors in the model before the structure is written
> out, yes?
Almost true. It depends how the programs are written. In MAIN this is
James answer seems right, and make abject sense. -and makes sense by experience
too..
Bob
Robert Stroud
str...@msg.ucsf.edu
> On Mar 7, 2020, at 12:01 PM, James Holton wrote:
>
> Yes, that's right. Model B factors are fit to the data. That Boverall gets
> added to all atomic B factors in
