Cher Francois,
check the hkl-dependence of the individual halfwidths !
If it is not continous, you may have lower symmetry and hidden line
splitting leading to super-Lorentzians.
Julius
Francois Goutenoire schrieb:
Dear Rietveld users,
I am currently working on Williamson-Hall graph in order
If you can fit via a sum of a broader lorentzian and a narrower one it
may indicate the sample is a "mixture". Are you sure the sample is
microscopically homogenous?
Best,
Jon
Francois Goutenoire schrieb:
Dear Rietveld users,
I am currently working on Williamson-Hall graph in order to c
Hi ,
I am trying to refine some NPD (CW) data with GSAS and with difference Fourier
map trying to find D2 positions (different D2 loadings during the experiment).
When I check on FOX if the positions from Fourier map are correct, it shows me
completely different positions from the .LST file on
On jeudi 22 novembre 2007, Telepeni Irvin wrote:
> I am trying to refine some NPD (CW) data with GSAS and with difference
> Fourier map trying to find D2 positions (different D2 loadings during the
> experiment). When I check on FOX if the positions from Fourier map are
> correct, it shows me compl
Hi Vincent,
I meant:
(2) that the positions of your Fourier difference peaks are not the ones you
see by looking a the 3D Fourier difference map (exported from gsas) in Fox ?
I guess I am using the latest version of both since I reinstalled everything
just to make I was missing something impor
On jeudi 22 novembre 2007, Telepeni Irvin wrote:
> Even when I put D where GSAS thinks it should be (and where I hope it
> should be as well), then it turns out that this site or those sites are
> hardly occupied (and they are those to be supposingly where the scattering
> is from).
What happens
Are you sure that you are not looking at parts of the unit cell that
are symmetry-equivalent to the peaks found in FORSRH? You can also
use the FORPLOT program to make 2-D plots to confirm that what FOX
(or equivalently DRAWxtl) shows agrees with the internal GSAS
representation.
Brian
The space group is R-3m.
-Original Message-
From: Favre-Nicolin Vincent [mailto:[EMAIL PROTECTED]
Sent: Thu 22/11/2007 13:43
To: rietveld_l@ill.fr
Subject: Re: Difference Fourier Map/GSAS
On jeudi 22 novembre 2007, Telepeni Irvin wrote:
> I am trying to refine some NPD (CW) data with GS
Maybe I am being dumb, but if you are looking at fourier difference map and
GSAS has found a D atom there then you would not expect to see any
intensity. You would expect to see a peak if looking at a fourier map, but
not a fourier difference map.
At 14:46 22/11/2007, you wrote:
On jeudi 22
Dear Brian,
Thanks for your reply, that must be the explanation, but I am not quite sure of
how to filter these sites from those of interest (since I dont know where they
are)? I could just try all of them but I am sure that's not the ideal method.
Best regards,
Irvin
-Original Message
Dear all,
I don't know how useful this might be. Sometimes when I am close to the
solution
for powder I pump out a hkl file and then stick that into a Shelx input
file and
run under WinGX. There you can use mapview and the reciprocal space search as
you would ordinarily do for single crystals
On Nov 22, 2007, at 11:30 AM, Telepeni Irvin wrote:
Thanks for your reply, that must be the explanation, but I am not
quite sure of how to filter these sites from those of interest
(since I dont know where they are)? I could just try all of them
but I am sure that's not the ideal method.
W
>From Dr Giovanna CICOGNANI (ILL Scientific Coordination Manager )
Dear Colleague,
We'd like to draw your attention to the workshop on Powder Diffraction
with 2-Dimensional Detectors (PD2DD) to be held in Grenoble
at the ILL/ESRF site on Tuesday 26 and Wednesday 27 February 2008.
Please see htt
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