Hello All:
As of today, the ifeffit and horae programs are in the Debian archives.
because of their dependence on pgplot which is non-free, they are in the
contrib section of the unstable distribution. Please make sure that you
have main contrib non-free in your apt sources line. If all
Hello All:
The horae-063 Debian packages have been built. For the sarge release,
you can find it at my repository
deb http://fermi.phys.iit.edu/debian/sarge binary/
For the sid (unstable) release, it has been uploaded to the Debian
mirrors and should be available within 24 hours or so.
:
On Monday 27 November 2006 19:29, Carlo Segre wrote:
Finally, I know that the etch and sid Debian packages will not install
in Ubuntu (along with ifeffit too). Is there any interest in getting
these included in Ubuntu? If so, please let me know and I will see about
it. I have not tried as of yet
Hi Shan:
Sorry this took so long but I wanted to get my facts straight on the
structures.
From what I can see, Al2O3 and Y2O3 are both more or less octahedrally
(6-fold) coordinated. I would expect that you get very similar results
with both model (as you do). The only difference might
Hello All:
I have set up a new repository for the Debian packages of IFEFFIT
friends. I have also begun to build Ubuntu packages as well. Of course,
whenever possible the packages are in the Debian archive.
The following are available to use in your /etc/apt/sources.list
# backported
Dear Hao:
Just looking at your fit results, I noticed that enot_2 is also much too
large at 35 eV and the dr_2 value is also quite large. Whay are you
setting these parameters to such large values? Did you extract them from
something else?
Cheers,
Carlo
On Fri, 23 Feb 2007, [EMAIL
Hello Hao:
I took a look at your fits _very_ briefly. Just a couple of things to
note.
The range of chi(k) which you use in the fit is probably a bit large.
You are starting at 2.1 and the data at that point is really not usable.
I would start at 3 or so. On the high end, it seems OK.
The
Hi David:
On Thu, 8 Mar 2007, David Weedon wrote:
In the Journal entry we are asked to click Guess, Def, Set, then click
new and enter DelScale = 0. After I hit the Guess button I cannot
find the parameter dr on the list. Am I correct in assuming that dr
is some kind of reserved
Hi Mauro:
I wanted to close the loop on this problem. I have implemented a
temporary solution while I figure out what the right thing to do is.
This solution applise to whomever is using the Debian packages for etch
and sid as well as my unofficial packages for sarge and the ubuntu
On Fri, 1 Jun 2007, Bruce Ravel wrote:
On Friday 01 June 2007, I.Reitz wrote:
A couple more comments:
And I have also a question to you: Why do you use 30 eV/e- as ionization
energy for the gases? Is there a reference for that?
That's not very defensible. 32 eV is probably a better
Hi Emiliano:
Glad you got it to work. I have also found that if you are going to use
the local installation of ifeffit, it is wisest to also locally install
pgplot5. The Debian packages are, however, modified to work properly with
each other.
Carlo
On Wed, 4 Jul 2007, Emiliano Fonda
Hi Ashley:
I think you are struggling with one of the most difficult aspects of XAS
analysis. There is no single, automatic way of setting these parameters
although Athena and Ifeffit do a good job of initial guesses.
It is rather trite to say that it is a question of experience but that is
The Debian packages for etch are in my repository
deb http://debian-xray.iit.edu etch main contrib non-free
packages for unstable are in the Debian repository (probably tomorrow).
I have also built packages for Ubuntu
deb http://debian-xray.iit.edu edgy main contrib non-free
deb
Dear Chachi:
I am not sure that Ifeffit is compilable by gfortran. You might have to
install g77 and use that.
Carlo
On Tue, 21 Aug 2007, Chachi Rojas wrote:
Hello list
I try to install ifeffit 1.2.9 on Linux Bluewhite64 12.0 (slackware 12.0
based)
PGPLOt run perfectely,
./configure
the software in my two computers(both Ubuntu 7.04), but the
symptoms are the same.
Would you please tell me how to build deb package from source?
Jun
On 8/31/07, [EMAIL PROTECTED]
[EMAIL PROTECTED] wrote:
Message: 2
Date: Wed, 29 Aug 2007 23:16:07 -0500 (CDT)
From: Carlo Segre [EMAIL PROTECTED
and figure it out.
Carlo
On Thu, 30 Aug 2007, Jun Lin wrote:
Hi Carlo Segre,
I install Athena and Artemis from your compiled deb package for feisty.
When I try to change values in Athena and Artemis, it doesn't work.
The only way change the value is click on the plot canvas.
I have tried to execute
Hi All:
On Wed, 19 Sep 2007, Matt Newville wrote:
I don't think I have a gfortran 4.2.1 available. The 'umask = lmask
+1' approach
worked with gfortran 4.1.2, but it did not work with 4.1.1 (where
worked = 'gives
numerically same as g77').
OTOH, using umask = -lmask - 1 worked
Hi Bindu:
I am presuming that you mean that you want to tune the bond angle of the
MS paths in your EXAFS fitting but, as Bruce notes, I might be wrong.
The bond angles for the multiple scattering paths are simply calculated
from the positions of the atoms around the central atom in the FEFF
Hi Chiara:
Did you install horae from the tarball, the packages from Ubuntu (version
064) or the packages from my server (version 066)? That can let us help
you better. Just off the top of my head, however, I think that the
problem might be in your .horae/athena.mru file which might be
Hi Eckhard:
On Fri, 29 Feb 2008, [EMAIL PROTECTED] wrote:
Hi,
does your proceeding make sense for XANES calculations, too? For example
for an atom-cluster with some sulfur absorber?
best regards,
Eckhard
Yes, you can do this for XANES calculations too. The outputs need to
be summed
Hi Eckhard:
On Fri, 29 Feb 2008, [EMAIL PROTECTED] wrote:
Hi,
my normal proceeding is (for example Na_2 SO_4) to calculate with an
atom-cluster of this substance with lots of atoms an lots of sulfur. I
chose one as the absorber and make one single feff-run. But when i do this
for all
Hello Pei:
On Sat, 15 Mar 2008, Richard Mayes wrote:
As for why the feature (low-R junk) increases as Rbkg is adjusted from 1.0
to 1.21 but disappears at 1.22, I'm not sure but my guess is that this is
an artifact of removing some of the data that contributes to the feature,
and by 1.22
Hi All:
I am in need of various Ti-O reference spectra. Does anyone have any such
available?
Thanks,
Carlo
--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498Fax: 312.567.3494
Hi Joseph:
On Mon, 7 Jul 2008, Joseph Washington wrote:
Greetings all,
I am an APS user and a graduate of XAFS Summer School - class of 2007 :)
We have been doing EXAFS analysis on Ge[2]Sb[2]Te[x] thin films. I
noticed that at the Ge edge in particular, the k-weight value used in
the
Hi All:
we recently had to move the data to a different server. Unfortunately the
ftp services are not yet set up correctly. We will post an email once we
have them working.
Carlo
On Tue, 29 Jul 2008, Zajac, Dariusz wrote:
Hi Rich,
thanks, unfortunatelly we (my colleague and I) have a
Hi Dariusz:
The reason you are having problems with the likes listed below is that I
changed the format of the database yesterday. i no longer have the files
in compressed format, so the .Z is not necessary, and I have changed the
access method to http:// instead of ftp:// (for security
Hi Jenny:
You might want to use a program that is specific to peak fitting. There
is open source program called fityk which does it well. It can be run
under Windows or Linux
http://www.unipress.waw.pl/fityk/
Cheers,
Carlo
On Thu, 18 Sep 2008, Jenny Cai wrote:
Hi guys,
Could anyone
Hi Joseph:
On Fri, 17 Oct 2008, Joseph Washington wrote:
Hello all,
I am working on analyzing Ge edge EXAFS data of an annealed sample which
is likely to be Ge-Te crystallites with some amorphous material at the
grain boundary (or perhaps, just Ge-N crystal material at the
interface). I do
Hi Marco:
I apologize for being behind the curve on the new ifeffit. Too much work
here at IIT. I think I will be able to put out a new ifeffit version in
the next week or so.
Carlo
On Wed, 12 Nov 2008, Mauro Rovezzi wrote:
Dear all,
I decided to upgrade ifeffit-1.2.11 on my Ubuntu
Hi Mauro:
I have now produced a package of ifeffit 1.2.11b. It is in Debian
unstable and available for Ubuntu intrepid and jaunty in my repository
deb http://debian-xray.iit.edu intrepid main contrib non-free
deb http://debian-xray.iit.edu jaunty main contrib non-free
The version for jaunty
/ifeffit-1.2.11c.tar.gz I'll
post this to sourceforge this afternoon, and I'll also make a new DLL
for Windows and post all of these on the download page. I'll also make
a new updater for Windows.
--Matt
On Mon, Nov 17, 2008 at 10:07 AM, Mauro Rovezzi [EMAIL PROTECTED] wrote:
Carlo Segre wrote
Hi Ying:
On Tue, 18 Nov 2008, Ying Zhou, Anorganisch-Chemisches Inst. wrote:
Dear All
Recently, I got one compound, W/Mo oxide, which has the similar structure
with hexagonal WO3. We tested the EXAFS of W L3 edge and Mo K edge of this
compound. So, we use the hexagonal WO3 model to refine
Hi Yordy:
I have removed all the previous emails to keep the message short...
On Sat, 22 Nov 2008, Yordy Licea Fonseca wrote:
Hi Carlo and Ying,
Does it means that if the sample is a random solid solution at experimental
temperature, in principle, you would be able to simulate the EXAFS
Hi Hashem:
As Gregory mentions below. The problem is partial occupancies. In
diffraction, it is OK to put two different atom species in the same
(or close) crystallographic position. This makes no sense in analyzing
EXAFS because you cannot calculate scattering from a fractional atom.
For
Hi Kleper:
There is a single Pt-Pt path in your fit. This is effectively a fcc Pt
distance of 2.77. I see several problems:
This spectrum has distances which are much shorter than 2.77 and so I
would expect that this single path would not be a very good fit. I am not
sure if the peak
not find a good model to
this. Do you have some idea if is possible to do that? Do you belives that I
should take more than one path for Pt-Pt distance?
2009/1/13 Carlo Segre se...@iit.edu
Hi Kleper:
There is a single Pt-Pt path in your fit. This is effectively a fcc Pt
distance of 2.77. I see
Hi Abhijeet:
The Farrel Lytle data is in the form of staps with calibration points.
You need to make a conversion to energy. Grant Bunker sent me this
description a while ago. I have written a Python program to do the
conversion but have had no time to finish it off and make it really
wishes, Yordy
2009/1/29 Carlo Segre se...@iit.edu
Ah, just premature sending...
Carlo
On Thu, 29 Jan 2009, Yordy Licea Fonseca wrote:
Hi Carlo and Matt,
Thank you very much for your help.
Best wishes,
Yordy
On 29/01/2009, ifeffit-requ...@millenia.cars.aps.anl.gov
ifeffit-requ
Hi Eugenio:
In this case, you probably have to take advantage of other information you
might have about your samples. You say that the lattice parameter of the
ZnO does not change. Depending on the nominal doping percentage of the
Er, this could be a good indication that the Er is not
Hi Eugenio:
In my experience, nanoparticles tend to become perfect crystals because
the strain energy per atom in the cluster is too large to support a dopant
which severely distorts the structure. It is possible that a dopant like
Er is simply expelled from the nanoparticle. In the bulk,
hi Guvenc:
assuming that you are interested in the Co edge of a Co atom substituted
for Zn in the ZnO structure you can do it as follows. First, you start
with an atoms.inp file for ZnO. Generate the cluster at the radius of
interest to you and then edit the resulting feff.inp file to
Hi Mehdi:
We have data for some Mo standard compunds: MoO2, MoO3 and PbMoO4. I
have attached an athena project with them included. These have been
preprocessed by rebinning, aligning and averaging a number of quick
scans from the MRCAT, Sector 10 beamline at the APS.
Cheers,
Carlo
On
Hi All:
After a long delay, I have finally managed to make Debian packages of the
new-look horae (after version 069) and upload it to the Debian archive.
As usual, I have backported to the current Debian stable (lenny) and to
Ubuntu intrepid and jaunty. Because of significant changes, I am
Hi Andy:
On Mon, 6 Apr 2009, Andy Connelly wrote:
1. Are there any problems if I set the R-range min to the same value as Rbkg?
No, but you shouldn't set it lower than Rbkg, in general.
2. If I want to refine the degeneracy of a path can I write the
expression amp*N_1 in the SO2 box?
Hi Silvio
On Tue, 21 Apr 2009, Matt Newville wrote:
Another alternative is to install from the debian packages prepared by
Carlo -- the ubuntu package manager ought to be able to find this, and
I think it is pretty close to up to date.
The packages in my repository are at svn 512, which
Hi Abhijeet:
i think you have to start by looking back at your original data. The
Chi(k) looks very iffy for a crystalline material such as the kind you are
model. Could you send your Athena project with the original data? My
suspicion is that the first peak is mostly due to poor
Coudl we have one for Sector 10?
Carlo
On Tue, 11 Aug 2009, Julie Olmsted Cross wrote:
I have ten copies of the Athena User Guide leftover from the 2009 APS XAFS
School. If you want one, send me your mailing address. First come, first
served.
~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~
Dr. Julie O.
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, there seems to
be a large peak in R space below 1 A. From most examples and
Hi Chris:
I have taken a look at your project file and, indeed, the edge setting is
more or less correct. In this case, the intensity below 1A is certainly
background and you can see this by plotting the data in R-space with
k-weight of 2 or 3 and then slowly increase the Rbkg (I find that
Or just put a # in front of the number
On Wed, 26 Aug 2009, Kelly, Shelly wrote:
I believe the problem is a comment line that contains a single number.
If you remove that line, they read in just fine.
Shelly
-Original Message-
From: ifeffit-boun...@millenia.cars.aps.anl.gov
Hello All:
I apologize in advance for filling your INBOX with this if it is not
relevant. We have recently been awarded a number of fellowships from the
Department of Education GAANN program. Our fellowships are specifically
for synchrotron radiation research in the Physics program. The
There are many places to find the link, on the Ifeffit wiki or xafs.org
but here it is
http://leonardo.phys.washington.edu/feff/
Carlo
On Sat, 19 Sep 2009, abhijeet gaur wrote:
Hi Abhijeet:
The FEFF6L distributed with Ifeffit is only set up to calculate EXAFS. If
you want the near edge
Hi Abhijeet:
On Sun, 20 Sep 2009, abhijeet gaur wrote:
Sorry to give you trouble again about the same reply
of yours. Is it possible to get mu(E) of EXAFS, say beyond 20-50 eV through
FEFF6L distributed with Ifeffit .
FEFF6L calculates the EXAFS, that is chi(E). This
Hi Hashem:
My perspective is that you ALWAYS need to be skeptical of any fitting
results you obtain. YOu need to decide if they are consistent with
standards, if there is a reasonable explanation of why they come out the
way they do, etc. That is not to say that they will be wrong but
Hi John:
I can't answre all of the questions you pose but I tried this with my
installations of feff.
On Sat, 10 Oct 2009, John McLeod wrote:
If anyone out there is willing to help me out:
3. Do you get the same results as I do with the attached feff.inp?
yes, feff6 gives the same error
Hi Abhijeet:
How were the data taken? Is there a possibilty that the samples were
prepared in such a way as to give an attenuation of the EXAFS. This can
happen both in flurescence as well as transmission if the sample
preparation is not carefully done. For example pinholes in a
symmetry? ;)
Carlo
On Thu, 19 Nov 2009, Zajac, Dariusz A. wrote:
Dear Bruce, Dear All,
maybe it is a naïve question but I want to ask and to point this problem...
Windows XP. Athena 0.8.059
Sc.Linux. Athena 0.8.060
I have a set of data with refernces (one sample, many scans). I have
Hi Matt:
I agree. It is useful to have the reference channel from the first of the
merged data pulled over as reference for the merged data but this
actuallly only makes sense if the user first aligned using the reference.
carlo
On Thu, 19 Nov 2009, Matt Newville wrote:
Is there ever a
It is in the paper:
http://pubs.acs.org/doi/abs/10.1021/ja00220a008
Carlo
On Wed, 3 Dec 2009, Neetu parsai wrote:
Hello
Can some one send me Mackale's table in which back scattering amplitude and
Phase shift values of most of the elements are given. Otherwise can tell me how
can I order
Sorry, I hit the send key too soon. I meant to say that it looks like
you have to contact the journal for the supplementary material. You might
also try contacting the authors who are at Argonne for it (particularly
Veal).
Carlo
On Wed, 3 Dec 2009, Neetu parsai wrote:
Hello
Can some
Hi Nelson:
The problem is that your font sizes are too large for the screen. YOu
will have to change them but the only way to do this is by hand. You need
to edit the file .horae/athenarc and change the font sizes listed at the
bottom. Reduce the number until you get the display you want.
but I am not able to plot it.
With thanks
Vijay Hinge
Research Scholar
Ujjain (India)
On Fri, Jan 22, 2010 at 7:50 PM, Carlo Segre se...@iit.edu wrote:
Hi Rashmi:
What platform are you running on?
Carlo
On Fri, 22 Jan 2010, Rashmi Shrivastava wrote:
Hi all,
I am doing some data
This continuing thread is all clearly attributable to the heavy snowfall
in the the US..
Carlo
On Sun, 14 Feb 2010, Frenkel, Anatoly wrote:
??? ? ?? ?
--Matt
? .
??? ?? . ?? ??? ??? ?. :
Call for Papers
1st North American Core Shell Spectroscopy Conference
to be held jointly with the 59th Denver X-ray Conference
2-6 August 2010
Denver Marriott Tech Center Hotel, Denver, Colorado, U.S.A.
The first North American Core Shell Spectroscopy Conference will be held
jointly with
/~segre se...@debian.org
-- Forwarded message --
Date: Thu, 15 Apr 2010 08:36:48 -0500 (CDT)
From: Carlo Segre se...@iit.edu
To: ingrid.picker...@usask.ca
Subject: Invitation to speak at the North American Core Shell Spectroscopy
Conference
Dear Prof. Pickering:
The first
(CDT)
From: Carlo Segre se...@iit.edu
To: ingrid.picker...@usask.ca
Subject: Invitation to speak at the North American Core Shell Spectroscopy
Conference
Dear Prof. Pickering:
The first North American Core Shell Spectroscopy conference will take place
this year concomitantly with the Denver
Hi Stefan:
Could you post the journal files or the projects so that we can see what
you mean by completely different?
Thanks,
Carlo
On Sun, 2 May 2010, Stefan Mangold wrote:
Dear List,
I have produced a fit with 2 structure, which went reasonable well. So I saved the
Artemis file on
Hello All:
Please share this announcement with anyone whom you feel might be
interested. I am positive that I am not getting this out to the entire
core shell spectroscopy community.
The abstract deadline has been extended until June 1 for oral
presentations.
Conference
Hello Ditty:
The problem you have can be solved by not using platinum on both sides.
in our group, we just use Pd on the side we are not interested in for a
particular experiment, be it anode [0-2] or cathode[3]. As for the
qustion about the difference in the two sides in fluorescence mode.
Hi Janeth:
On Wed, 19 May 2010, Janeth Lozano wrote:
My question is about the E0, i am making fits where the E0 final is some
high, around 8eV, i tried to change the feff calculation with the card
EXCHANGE to lower the E0 but it did not work, after the fit i obtained the
same E0 around 8
Hi Han Sen:
On Sat, 18 Sep 2010, Han Sen Soo wrote:
My first objective is to get an idea of the coordination number of Ti,
and I'm trying to do this in Artemis by using the parameter N as my S0^2
and letting the amplitude of S0^2 vary. I'm not sure if this is
appropriate?
I think that
#
# Copyright 2009 Illinois Institute of Technology
#
# Version:
# 1.0 2009/02/03 Carlo Segre
# * Initial release
# 1.1 2009/02/11 Carlo Segre
# * Replace Numeric with numpy
# * Open output file after checking for supported input
# file format
#
# Permission is hereby granted, free of charge
Hello All:
The Abstract Deadline has been extended for an additional 2 weeks until
April 1, 2011, for oral presentations at the North American Core Shell
Spectroscopy Conference to be held in conjunction with the 2011 Denver
X-Ray Conference from August 1-5, 2011.
And additional customized filters can be implemented in Perl.
Carlo
On Fri, 8 Jul 2011, Wayne W Lukens Jr wrote:
Excellent! I was not aware that Athena could now open the SSRL binary files
(I have been using EXAFSPAK for this).
Sincerely,
Wayne
On Thu, Jul 7, 2011 at 9:03 PM, Scott Calvin
Hi Enyuan
On Sat, 30 Jul 2011, Enyuan Hu wrote:
I checked the log file but didn't see any error message. I don't know if
it's because I succeeded in installing Athena and Artemis following Carlo's
suggestion and the log file is thereby updated. Here's the content of the
log file:
If you
wrote:
Dear members of the list,
I thought I would send this message to Carlo Segre (who packages Ubuntu
versions of Horae), but this message might be of interest to other persons on
the list, and someone else may even have a solution for me.
Problem:
after upgrading to Ubuntu Oneiric 11.10, I
Hi again Denis:
On Mon, 24 Oct 2011, denis.testemale wrote:
Problem:
after upgrading to Ubuntu Oneiric 11.10, I now cannot start Athena/Artemis,
with the following error:
/usr/bin/perl: symbol lookup error: /usr/lib/libpgplot.so.5: undefined
symbol: XOpenDisplay
Hephaestus runs, but I tried
Hi Qingyu
On Fri, 30 Mar 2012, KONG Quingyu wrote:
We recently collected 3000 EXAFS spectra to follow a chemical reaction
process, we would like to fit the experimental data with reference
spectra using linear combination fitting. Does anyone know there are
available or commercial program
Hi Kai:
On Tue, 23 Apr 2013, Sanwald, Kai wrote:
1. changed occupancy from 0.5 to 1 in line
Ni1 Ni2+ 16 d 0.625 0.625 0.625 . 0.5 0
2. subsequently deleted line
Fe2 Fe3+ 16 d 0.625 0.625 0.625 . 0.5 0
I got rid of the ATOMS warning concerning the partial occupancy but FEFF6
crashes due
Hi Taehoon:
There are probably several ways of doing the modeling but it all depends
critically on what question you are trying to answer. Once you have
identified this, the modelling path will become clearer.
In general though, yes, you can make two ATOMS models and use paths from
both.
Hi Carl:
Yes, you can do that and start with a FEFF input file if you know the
coordinates of all the atoms that you need in your model. After you edit
the FEFF input file, you can simply start from there bypassing the atoms
portion of the model building.
Carlo
On Thu, 31 Oct 2013, Carl
Hello All:
Does anyone have a reference spectrum of Er2O3? I have one but I am a bit
concerned about the resolution and wish to compare.
Thanks,
Carlo
--
Carlo U. Segre -- Duchossois Leadership Professor of Physics
Director, Center for Synchrotron Radiation Research and Instrumentation
Hi Douglas:
On Tue, 18 Mar 2014, Douglas Langie da Silva wrote:
Dear all,
I am working with EXAFS data of V2O5 xerogel. In this form, the V2O5
present a monoclinic structure formed by bi-layers of VO5 pyramids
intercalated with water molecules. Fig 1 attached presents a view of the
V2O5
Yes, Shelly's tutorial was to obtain a better starting point for E0 so
that it is minimized in the modeling. Since E0 and delr are highly
correlated, this will serve to improve the value obtained for the path
length.
Carlo
On Thu, 5 Jun 2014, Latta, Drew E wrote:
Hi Carter,
My
Hi Peng:
The answer is yes, you can use a variable called n or n_o but you need
to be careful on how you set up the fitting. here is one way to do it:
For the path of interest, in the two boxes which are labeled N and
S02, you fill them in as 1 and n_o (for number of oxygens for
If you have any knowledge about the distance between the Rb and Cl, you
can use that to build a quick first shell FEFF calculation. You will also
have to select a geometry but that is less important, I generally assume
either tetrahedral or octahedral.
Carlo
On Wed, 30 Jul 2014, Karin
Hi Peng:
I wrote a small Python program to convert these data into something more
understandable. In the process, I documented the format as far as I could
figure it out. I have included the description below:
Carlo
Hi Ke
Yes, if you change the position of your E0 in Athena, it will result in a
shift in your fit parameters. However, don't simply shift your E0 just to
avoid the warning. Take a look to see if Athena mispositioned it first
but if you are confident that it is correct, then you might take a
Either way is fine but I would suggest taht you not use the calibrate
function, just read off the zero crossing and put it into the E0 location.
Calibrate actually shifts the data and that is not necessarily what you
want to do, particularly if you are comparing spectra..
Carlo
On Thu, 16
and the Background
removal is ok to use from Athena and take it over to Artemis? are there any
set of parameters we should check, that if ok we can consider the BKG
removal is good?
Thank you everyone in advance for your anticipated help.
Pushkar
On Thu, Oct 16, 2014 at 6:55 AM, Carlo Segre se...@iit.edu
Hi Adora:
FEFF9 does a pretty good job of calculating XANES now. YOu might want to
try using that to confirm what you think you have. I agree with you that
having an environment similar to your target compound is essential for
calibration of valence.
Carlo
On Fri, 31 Jul 2015, Adora
Hi Eugenio:
This only partly depends on the actual concentration of your dopant atom.
Just becuaseit is a low concentration does not mean the signal is
necessarily in the noise. If you set up your experiment correctly and
collect sufficient data you can get quite a good signal from even a
Hi Eva:
Bruce is correct but I have been able to reconstruct the calibrations on
some of the data sets and I have a program which can convert them. I will
be happy to share it privately if you want it. However, I think it would
be better to find some data from a more modern beamline as a
It is even pretty easy in the old Artemis. No need to load data just
start from Theory and make a new Atoms input file then use the Theory menu
to Write Special Output.
Carlo
On Tue, 9 Aug 2016, Matthew Marcus wrote:
Oh, the Demeter menu. I was looking in Artemis itself. Thanks!
On Mon, Aug 8, 2016 at 5:05 PM, Carlo Segre <se...@iit.edu> wrote:
Hi Siliang:
The first thing is that you have misidentified the edge position. Itis
way too high in all the data sets.
Put it at the inflection point of the main rise in the absorption curve
and you will find that the p
of longer counting
times?
Siliang
-Original Message-
From: Carlo Segre [mailto:se...@iit.edu]
Sent: Monday, August 08, 2016 4:05 PM
To: Siliang Chang <schan...@uic.edu>
Cc: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Ti data problem
Hi Siliang:
The first thing is th
Hi Siliang:
The first thing is that you have misidentified the edge position. Itis
way too high in all the data sets.
Put it at the inflection point of the main rise in the absorption curve
and you will find that the problem is much reduced.
The second thing is that you have a very bad
Hi Ed:
You do not need to start with a CIF file at all. All you need is the
space group, the lattice constants and the atomic positions. You can then
fillin the blanks for the Atoms program yourself.
Carlo
On Mon, 8 Aug 2016, Ed Han wrote:
Hello All,
I apologize in advance if this is
We will be holding the IIT/APS XAFS Summer School this year the week of
July 10. The information will be posted shortly.
Carlo
On Mon, 9 Jan 2017, Ritimukta Sarangi wrote:
Hello folks,
I have received several queries over the last 6 months about hosting an
EXAFS Summer School in 2017 at
hi Neil:
The sigma squared values for your first Co-O path and the Co-Co path are
not out of line with those I have seen for Co(OH)2. Personally, I would
not include the last Co-O path and cut the fitting range down to 3.5A or
so. It is possible that the second Co-O path is also not
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