You can run two calculations and import the paths and scale the contributions
from each site. There are a lot of examples and this has been discussed before
on the mailing list if you search.
Hope that helps,
Chris
*
Dr. Chris Patridge
Assistant
Hello,
You said you averaged in E(k)? Is this reciprocal space? Are calculating
XANES or EXAFS spectra with Feff? You said you would transform the data to
real space so I assume it is EXAFS. I don’t think there is flattened mode in
EXAFS. If you clarify what you are calculating that might
Thank you for the input Matt. I am glad to hear that it is not “user error”. I
tried it again and I need to correct my earlier statement because Artemis GUI
will stay open after the warning however Athena closes/crashes.
I will try on a different system.
Thanks again,
Chris
Sent from my
Hi Wuhib,
If these problems persist, instead of relying on Bruce or others, perhaps
consider running a free virtual machine of windows to install Demeter. I have a
Mac as a main computer and run the software through virtual Windows machine
without much of problem.
Just a thought,
Chris
at 6:12 PM, Chris Patridge patri...@buffalo.edu wrote:
The standard curve using V standard, how are you making the curve? You
probably know from the Wong paper that there are pre edge features for the
vanadium oxide species. We used a very similar method to assign oxidation
states to doped
The standard curve using V standard, how are you making the curve? You
probably know from the Wong paper that there are pre edge features for the
vanadium oxide species. We used a very similar method to assign oxidation
states to doped vanadium oxide compounds between 3-5. The method gave us
I think Scott was pointing out that first neighbors may be known with high
certainty and therefore you can set this value thereby removing it and slightly
reducing the correlations.
Chris
Sent from my iPhone
On Mar 23, 2015, at 7:00 AM, Rana, Jatinkumar Kantilal
Quoting Chris Patridge patri...@buffalo.edu:
Hi,
One thing that could be considered is transferring the SO2 factor from a
reliable source such as a standard and then use that value in the fit.
Chemical transferability of SO2 to similar systems is often acceptable. You
could also try
Yanyun,
The so2 also has a correlation with the Debye factor as well. You should also
look at that parameter in the fits you've done.
Chris
Sent from my iPhone
On Mar 20, 2015, at 3:46 PM, huyan...@physics.utoronto.ca wrote:
Hi Scott,
Thank you so much for giving me your thought
Hi,
One thing that could be considered is transferring the SO2 factor from a
reliable source such as a standard and then use that value in the fit. Chemical
transferability of SO2 to similar systems is often acceptable. You could also
try constraining the value in the fit as well. SO2 and
What system are working on? It might be system specific.
Thanks
Chris
Sent from my iPhone
On Jul 7, 2014, at 5:45 AM, Badari Rao badari@gmail.com wrote:
Dear Sir,
I am facing two problems while handling files in Athena.
First of all, when I freshly open Athena and import a file,
While I don't have much experience with biological samples in exafs, if you
need to generate Ni - C paths, use the virtual path function in the new
Dartemis which is very easy to use.
Chris
Dr. Christopher Patridge
Assistant Professor of Chemistry
Dr. Christopher Patridge
Assistant Professor of Chemistry
Math and Natural Science Dept
BFAC 009
D'Youville College
320 Porter Ave., Buffalo, NY 14150
716-829-8096
Sent from my iPhone
On Feb 28, 2014, at 8:04 AM, Chris Patridge patri...@buffalo.edu wrote:
Hi,
The easiest
Hi,
The easiest constraint would be a mathematical expression such as a + b = 1.
Do you have an experimental value for so2 as found for something chemically
similar such as a standard at that edge? Then replace so2 expression for each
path as value found * a and value found * b. This should
Shoaib,
Do you have any experience with virtual machines? You could run it on a stable
earlier version of Windows that you previous used before upgrading. Virtualbox
and Linux would completely free and you could probably be up and running in
less than an hour.
Just a thought,
Chris
Matt,
Outside of the question of fitting the data, can you collect absorption data on
the additional 3+ metal you are adding the material?
Chris
***
Dr. Christopher Patridge
Assistant Professor
Department of Math and Natural Sciences
D'youville
Bruce,
Without those friendly warnings (reminders), beginners would likely fall down
several rabbit holes before understanding many of the important steps necessary
to get meaningful answers in EXAFS.
I know I would have.
Chris
***
Dr. Christopher
Linda,
I don't know if Athena's strongest feature is peak fitting. It has been
discussed before and it might be better to export the processed data and use a
more robust fitting program.
buena salud,
Chris Patridge
On Nov 24, 2012, at 3:24 PM, Linda Lim ywl...@stanford.edu wrote:
Hi every
Wei,
Your calculated results give some sort of structural information of the
material? You can simply augment an existing Feff file and paste the atomic
positions. One particular advantage of the program is that the absorbing atom
does not need to be positioned at the origin. You designate
I have really only worked with Feff9.0 but I don't think there were a changes
between the two except for the GUI JFeff.
Chris
On Nov 17, 2012, at 10:06 PM, Wei Li we...@udel.edu wrote:
Thank, Chris. Do I need a Feff8 or Feff9 to do the job?
Wei
On Sat, Nov 17, 2012 at 9:44 PM, Chris
On 7/21/2011 3:44 PM, Abhijeet Gaur wrote:
Hi all,
I am doing EXAFS analysis of a sample having two metal
centres with different coordination geometry. In my sample two (Cu)
metal centres are present and these metal centres are surrounded by
different ligands (atoms) in different
software and quite useful. All of the other distances correlate to
the distances from the structure.
buena salud,
--
Chris Patridge
PhD. Candidate
Dept. of Chemistry
SUNY University at Buffalo
Buffalo, NY 14260
Contact: 315-529-0501
___
Ifeffit
I think the xas of soil book has been mentioned on this list before.
It contains a detailed example of theoretical modeling for background
subtraction among other things.
Buena salud,
Chris Patridge
On Jul 16, 2010, at 3:33 AM, Abhijeet Gaur abhijeetga...@gmail.com
wrote:
Hi
,
Chris Patridge
On Jul 14, 2010, at 2:59 AM, Abhijeet Gaur abhijeetga...@gmail.com
wrote:
Hi all,
I read the discussion on negative Debye waller factor. As
per the discussion the negative value of this factor shows that the
model has shortcomings, so it should be corrected.
I
are well isolated from the other paths, it gives
reasonable values for amplitude and enot of 0.77 (0.17) and -1.14 (3.06)
respectively. delr is -0.067 (0.028) and then ss comes out to -0.00036
(0.00414). Can ss be negative if the uncertainty brings it above 0?
Thank you all,
Chris Patridge
PhD
hello everyone,
I am asking if anyone might have any oxygen K near edge data for silver
oxide standards? We forgot to collect the sample at our last beamline time.
Thank you in advance,
Chris Patridge
___
Ifeffit mailing list
Ifeffit
meaning that
they have some contributions very close to 1.0 A and below in R space due to
phase shift. Has anyone modeled materials which contain these rather short
Reff and how did you decide what was scattering and noise?
Thank you all,
Chris Patridge
UB Graduate Student
the lost work after
crashing?
Buena salud,
Chris Patridge
UB Graduate Student
Department of Chemistry
Cell: 315-529-0501
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
projects more often.
Thanks,
Chris Patridge
-Original Message-
From: ifeffit-boun...@millenia.cars.aps.anl.gov
[mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Bruce Ravel
Sent: Tuesday, October 20, 2009 10:23 AM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] Athena
Ag(salt) Cl, No3,
So4 standards if anyone may be in need of those.
Buena Salud,
Chris Patridge
Graduate Student
Cell: 315-529-0501
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman
Hello all,
After calibration, alignment and merging V K edge data, there seems to
be a large peak in R space below 1 A. From most examples and readings,
this would seem to be noise since atoms do not reside that close to each
other. Adding a background addresses this noise but then the
Segre se...@iit.edu
mailto:se...@iit.edu wrote:
Hi Chris:
If you could attach an Athena project file, it would help us to answer
your question.
Carlo
On Tue, 25 Aug 2009, Chris Patridge wrote:
Hello all,
After calibration, alignment and merging V K edge data
Hi everyone,
I am working on Vanadium K-edge EXAFS with various VxOx oxides. My
question concerns deciding E0 and background spline in Athena. The K
edge at 5465eV has a large peak before the edge jump and when
subtracting the background and moving to K-space using the default
settings, the
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