On 8/31/19 9:44 AM, Ahmed Subrati wrote:
Dear all,
I wanted to ask how three atoms, sharing the same xyz position, could be refined
in terms of their occupancies /via /FullProf. We know that for the case of two
atoms, the first atom is set as 11.0 and the second one as -11.0 so that their
sum
On 08/29/2018 02:01 PM, Le Bail Armel wrote:
OK, seems that the SDPD book preface looks unclear to some.
Western movies adepts well know that sentence :
"You see, in this world there's /two kinds/ of /people/, my friend: /those/ with
loaded /guns/, and /those/ who /dig/. /You dig/. .."
Simil
On 08/29/2018 04:15 AM, Le Bail Armel wrote:
Hi,
After the IUCr Monograph on Crystallography 13 (2002)
entitled "Stucture Determination from Powder Diffraction Data"
you may find in the preface :
"Although the Rietveld method of structure refinement from powder
diffraction data is often loos
On 08/13/2018 03:43 PM, Toby, Brian H. wrote:
Dear Henk,
I am not sure if this is what was intended in your commentary and e-mail,
but I read from it the point that have heard often over the years, which is that
someone is less than fully deserving of scientific credit because “s/he only
On 08/10/2018 10:55 AM, Alan Hewat wrote:
Thanks Henk (and Bob). It's a story that must be quite common in science. Humans
like to simplify, and identify with heros. Humanity teaches us that we stand on
the shoulders of others. Few discoveries, especially in science, are made by a
single indivi
On 11/13/2017 08:54 PM, TSUBOTA Masami wrote:
Dear Rietvelters,
I'd like to introduce our following article.
https://www.nature.com/articles/s41598-017-15766-y
Accuracy of refinement parameters in the Rietveld method is not so good.
We have carefully investigated the reason, focusing on the pea
On 12/19/2016 09:29 AM, Cline, James Dr. (Fed) wrote:
Your data is from where? I wouldn’t trust numbers from refinements as these
from lab data.
Jim
James P. Cline
Materials Measurement Science Division
National Institute of Standards and Technology
100 Bureau Dr. stop 8520 [ B113 / Bldg
I "belong" to Facebook, but I almost never post there. My wife uses one of our
Linux machines to read it so that she can keep up with the postings of our
children and grandchildren.As it is very easy to get malware from Facebook, she
never uses her own computer with Windows 7 as OS.
Anything p
On 05/08/2015 11:16 AM, Kurt Leinenweber wrote:
Hi Alan,
I still like the Rietveld list and do read all the posts.
Is it possible to block attachments so that people can’t attach files any more?
-Kurt
Thus writes the guy whose mailer blindly attaches a message footer rather than
in-lining a
Stanislav Ferdov wrote:
Dear All,
I am trying to refine a phase that has a structure analogue with different
chemical composition. The problem is that using the published atomic
coordinates one cannot get a proper refinement (mismatch in the diffraction
intensities). When I process the data a
Jae-Ho Chung wrote:
Dear experts on Rietveld with x-ray,
When it comes to Rietveld, I have exclusively been working with
neutrons. Now I am just trying Rietveld with x-rays, and immediately
came up with a question. Since x-ray scatters from electrons, it seems
to me that we always have to
Franz Werner wrote:
> Dear Rietvelders
>
> Is it in principle impossible to determine the absolute structure from powder
> data due to reflection overlap or is there a way via multiple wavelength
> diffraction experiments?
>
> Thanks for your advice.
To determine absolute structure, you need t
[EMAIL PROTECTED] wrote:
> Dear all:
>
> Let me make you the following question.
>
> Suppose a polycrystalline coating deposited onto a substrate in such a way
> that the coating is subjected to in-plane compressive residual stresses
> after the deposition process. The coating has a cubic fcc cry
The authors of DRAWxtl are pleased to announce the release of V4.3 and V5.3 of
our program. As
before, V5.3 has a full GUI, whereas V4.3 is command-line oriented with an
openGL window displaying
the active structure. Note: we skipped V5.2 so that our two series would have
the same minor release
Alan Hewat wrote:
Should one first refine lattice parameters and then "fix" them before
proceeding with structure
refinement?
In the early stages of a Rietveld refinement you might want to fix some
parameters, for example
you might want to refine just zero point, cell constants, scale factor
AlanCoelho wrote:
I would like to conclude that to be critical of a method such as the
convolution approach to describing instrument line profiles it would serve
authors best to first investigate the approach rather than to be critical of
it without substance.
Amen!
I'm really impressed with
Will Bisson wrote:
Dear Larry,
When you removed the soller slits leading to increased the axial
divergence, which profile function is appropriate to model this,
especially at low angle where the asymmetry is very stark?
I used GSAS profile type 3, which incorporates the Finger, Cox and
Jephco
[EMAIL PROTECTED] wrote:
Dear All,
if I well understood JFC correction is perfect in case of
parallel incident beam; so, in case of conventional
Bragg-Brentano diffractometer, shouldn't it work well only
in case of use of Goebel Mirrors, that get incident beam
exactly parallel?
And is it true tha
Keith Rogers wrote:
>
> Dear All
>
> I have some fixed wavelength X-ray diffraction data where the step size
> in 2-theta is 0.015 degrees. It appears from the GSAS manual that the
> step size must be in centidegrees - does this mean that I have to throw
> away every other data point ?
>
> Keit
19 matches
Mail list logo
