Hi Alex,
You might find the list of beamlines at
http://www.iucr.org/resources/commissions/xafs/, compiled by Federico
Boscherini, a useful way to find a beamline that can acces at the Al
K-edge.
--Matt
On Tue, Oct 11, 2011 at 9:47 AM, Kompch, Alexander
alexander.kom...@web.de wrote:
Dear
Hi George.
It should be 2*(Delta k)*(Delta R), without the +2, but as a floating point
number. That is, it is deliberately conservative. I believe the subtle
difference you see (that is why the value is 27.06 instead of 27.5) must be
due to rounding of the R values on to a discrete grid.
Of course. I do agree with both Jeremy and Bruce.
-Matt
On Oct 10, 2011 10:07 AM, Bruce Ravel bra...@bnl.gov wrote:
On Monday, October 10, 2011 10:48:25 am Kropf, Arthur Jeremy wrote:
Perhaps there is a more subtle analysis of the data range, but I doubt
it, since Matt is on record as
Dear Mengling,
The basic issues are: will there be enough Tl fluorescence counts in
the detector, and will you be able to see a decent edge.From you
spreadsheet of concentrations, the elements that stand out are: Fe
and to a lesser extent Zn, and Pb.
The Fe and Zn will dominate the
Wei,
On Sun, Sep 18, 2011 at 9:10 AM, Wei Li we...@udel.edu wrote:
Dear all,
I am wondering about what range should be chosen in Athena? Some
literature
says from 1 to the end; some says from 0.5 to the end.
What literature says this? Do you mean to imply that someone is saying it
should be
Hi Xia,
--Matt Newville newville at cars.uchicago.edu 630-252-0431
On Fri, Sep 9, 2011 at 12:23 PM, Xia Bing sweetbl...@gmail.com wrote:
Dear members of the mailing list:
This year we have applied the synchrotron radiation and get the chance to
Beijing Synchrotron Radiation Facility
Niken,
Have you compared MBACK to using the 'CLnorm' normalization in Athena
(found under Background Removal Additional Parameters)? The
algorithms are not identical, but have a lot in common, and would
probably make it easier to compare with other data in Athena. If I
understand correctly,
Rajesh,
On Tue, Sep 6, 2011 at 7:52 AM, Rajesh Kumar rajesh@gmail.com wrote:
I recently installed
1. PGPLOT 5 (ver: 5.2.2-15) through Synaptic Package Manager from ubuntu -
MOTU-Developers (Mathematics, Multiverse)
2. IFEFFIT from Carlo Segre se...@debian.org, (version
Rajesh,
I suspect you might be trying solve problems you don't have, and not
looking at the problems you do have.
On Tue, Sep 6, 2011 at 1:07 PM, Rajesh Kumar rajesh@gmail.com wrote:
Dear Matt,
Thanks for your mail. I moved with your advice with PGPLOT a couple of weeks
back. After that I
Hi Morgan,
Sorry, somehow your legitimate message got lost in the spam box.
From: Morgan Scott msco...@aucklanduni.ac.nz
To: ifeffit@millenia.cars.aps.anl.gov
Date: Mon, 5 Sep 2011 12:04:45 +1200
Subject: settings tab in Artemis
Hello;
I have changed some settings in my plot display
Hi Matthew, Enyuan,
You're absolutely right that the JT distortion is better described as
moving the ligand atoms. I was too focused on edit feff.inp to move
the atoms and on trying to wrap my mind around R -3 m to do the
correct distortion. Enyuan, you'll want to edit the atomic list with
a
Hi Nirawat,
I think it would be really helpful to see the trapped errors. I can't
promise that I could figure it out, but if you send the project file Bruce
or I might have a chance.
-Matt
On Aug 4, 2011 9:18 AM, NIRAWAT THAMMAJAK n.thamma...@gmail.com wrote:
Dear All,
I was just wondering if
Hi Enyuan,
I'm sure you read the message that you posted:
= Please consult the PGPLOT installation instructions
= in the subdirectory pgplot/, and the log file:
=/home/enyuan/ifeffit-1.2.11d/PGPLOT_install.log
= which contains a full list of commands run.
=
= You may want to
Hi Pawel,
On Fri, Jul 29, 2011 at 7:13 AM, Pawel Zajdel pawel.zaj...@us.edu.pl wrote:
Matt,
Thanks for the explanation.
In this case, next two questions.
1. Is there a way to say it was rejected other than re-running feff with
CRITERIA 0 0? I expected it to show in Feff.run file with
Hi Jack,
Thanks for posting that -- it looks like an interesting distribution
method. If I understand correctly, it looks like Portable here
means a dropbox-distributed Windows distribution, with some added
batch files. Is that correct?
For the Python module, it looks like you're
Hi Andrew,
Hmm, not sure what's going on. It worked for me on one system, but I'll try
this on another machine later today.
I think the key is to have the folder with ifeffit_12.dll in your PATH.
You say you had to edit the use_ifeffit.bat file -- did this have the
incorrect paths? A
.1500 32
bit (Intel)] on win32
Type help, copyright, credits or license for more information.
import Ifeffit
x = Ifeffit.Ifeffit()
x.ifeffit('show $build')
$build= 1.2.11c Copyright (c) 2008 Matt Newville, Univ of Chicago
Does that work for you? If not, can you send
, 2011 at 12:50 PM, Matt Newville
newvi...@cars.uchicago.edu wrote:
Hi Andrew,
Just as a follow-up, loading the Ifeffit library from python worked
for me on a separate Win7 machine (64bit). I even had Ifeffit
installed to the non-default location. With Ifeffit installed to
C:\apps\Ifeffit, I
Hi Diya,
On Mon, Jun 27, 2011 at 1:40 PM, diya lee lidiyam...@yahoo.com.cn wrote:
Hi,
I have a Macbook pro, and I have the iXAFS3.0.3.dmg system installed. But
the artemis program could not open arthena
project. when i choose open file and select the file ( arthena project),
there system
Wouldn't you just put the atoms at the vertices of an icosahedron?
That is, how would you know what was beyond the first shell?
The feff.inp file below might be a good start.
--Matt
TITLE Fe at center of an icosahedron
HOLE 1 1.0 Fe K edge
CONTROL 1 1 1 1
PRINT 1 0 0 3
* set value to
, Scott Calvin
dr.scott.cal...@gmail.com wrote:
I apologize if I have abused the list while working on my text. I will find
a different channel for raising these questions and requests once the
current discussion is complete.
--Scott
On Jun 16, 2011, at 8:11 PM, Matt Newville wrote:
Hope
Hi Francisco,
On Fri, Jun 17, 2011 at 7:34 PM, Francisco Garcia
garcia.ff@gmail.com wrote:
Dear users,
I would like to quantify the single scattering (SS) and multiple
scattering (MS) contributions to the EXAFS spectra over a range of k
values. I adopted the following approach and I
Hi Robert,
Yes. Make a Theory Sum to simulate chi(k), pick Fourier transform
parameters, and plot the result in R space.
--Matt
On Thu, May 19, 2011 at 10:38 AM, Palomino, Robert rpalom...@bnl.gov wrote:
Hi,
I was wondering if it was possible for Artemis to simulate a FT spectrum, I
have
/ifeffit/attachments/20110519
/64e56955/attachment.html
--
Message: 2
Date: Thu, 19 May 2011 10:49:29 -0500
From: Matt Newville newvi...@cars.uchicago.edu
To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Can Artemis Simulate a FT
Scott,
On Thu, May 12, 2011 at 10:51 AM, Scott Calvin
dr.scott.cal...@gmail.com wrote:
Hi Brandon,
Matt and Bruce both gave good, thorough answers to your questions this
morning. Nevertheless, I'm going to chime in too, because there are some
aspects of this issue I'd like to put emphasis on.
.
On Fri, May 13, 2011 at 11:58 AM, Scott Calvin
dr.scott.cal...@gmail.com wrote:
Matt,
On May 13, 2011, at 8:39 AM, Matt Newville wrote:
After all, the epsilon should be different for different k-ranges, as your
signal to noise ratio probably changes as a function of k. Using the same
epsilon
I think Scott is right that the original meaning of effective was
that the scattering amplitude is not for point scattering of a plane
wave, as was used in earlier work (say, Sayers, et al 1971). Feff3
(circa 1990) didn't to do multiple scattering, but did put in curved
wave effects.
Guoqiang,
Can we take a step back and try to figure out why PGPLOT_install
didn't work for you? It does work for me on Fedora14. What part of
PGPLOT_install did not work?
It should be that ./configure --with-pgplot-link='LINKARGS' can be
used to specify the PGPLOT_LIBS value, say
Hi Matthew,
On Mon, Apr 4, 2011 at 5:51 PM, Matthew Marcus mamar...@lbl.gov wrote:
OK, so if you don't add a sigma2 to your FEFF input file, then IFEFFIT will
do the correction properly. Another question
is whether, if you add a sigma2 to feff.inp, what does FEFF do?
mam
FEFF's
Hi Yuan, (Bruce, Matthew),
Yes, the correction described by Tranquada and Ingalls is explicitly
included in ifeffit's fits.
There are a couple different effects going on. Short of doing actual
integrals over g(R), we try to take all the effects into account.
The cumulant expansion models the
Hi Nick,
On Tue, Mar 29, 2011 at 9:15 AM, Nicolae L. Aldea nal...@itim-cj.ro wrote:
Dear users,
My new questions are:
1) Should I introduce in GDS degen parameter for fitting beside amp, enot,
delr and ss? What happened when I want to obtain coordination number (CN)
associated to some
Hi Bruce, Matthew,
Oh, deriv() (and smooth()) are not nearly as sophisticated as what
Matthew suggests. They are simply applied to a single array,
sequentially, without regard to the x axis (as, in fact, it does
not know what x might be):
Deriv would translate (sorry for the python) to
def
to 30 Å. Does someone know what R-range Athena uses?
Also, just to be sure: so the normalization used for FFT by Athena is
sqrt(delta_k / Pi)?
thank you for your kind help,
regina
On Fri, Feb 4, 2011 at 8:34 PM, Matt Newville newvi...@cars.uchicago.edu
wrote:
Regina,
On Fri, Feb 4, 2011
Hi Scott,
Like for Jeff, the chi(k) LCA fit works for me with Athea 0.8.061 on
OSX 10.6. If I had to make a guess or recommendation for something
to try it would be this:
Standard2 extends to pretty far out in K (20Ang^-1) and Standard2 is
pretty glitchy beyond 12Ang^-1 or so. You might try
the person managing the list at
ifeffit-ow...@millenia.cars.aps.anl.gov
When replying, please edit your Subject line so it is more specific
than Re: Contents of Ifeffit digest...
Today's Topics:
1. Re: RE : Ifeffit Digest, Vol 94, Issue 2 (Matt Newville
Dear Qingyu,
I haven't analyzed this data carefully, but attached is an Athena
Project File of some room temperature data on W metal from a
powder-on-tape sample, Si(111) mono, W L3 edge, APS bending magnet
line. I don't have ready details on the absolute calibration, but
the edge energy is
Hi George,
The 'About' screen didn't get changed. I did very little to Jeff and
Ken's outer Cocoa layer. I'll try to fix that, but it's probably
not worth a new install. The main thing to check is whether Athena is
the right version (0.8.061).
Like Jeff said, iXAFS 2 and 3 do nothing to the
Scott,
OK, I've got it straight now. The answer is yes, the distortion from
nonuniformity is as bad for four strips stacked as for the single strip.
I don't think that's correct.
This is surprising to me, but the mathematics is fairly clear. Stacking
multiple layers of tape rather than
is wrong.
--Scott Calvin
Faculty at Sarah Lawrence College
Currently on sabbatical at Stanford Synchrotron Radiation Laboratory
On Nov 24, 2010, at 6:05 AM, Matt Newville wrote:
Scott,
OK, I've got it straight now. The answer is yes, the
distortion from
nonuniformity is as bad
Scott,
I agree with Jeremy and Matthew. Layering very small (compared to an
absorption length) spheres is exactly what powder on tape and mixing
with a low-Z binder do, and that's why these are the preferred methods
for turning a powder into a sample of uniform thickness. If the
spheres are not
On Mon, Nov 22, 2010 at 4:55 PM, Scott Calvin dr.scott.cal...@gmail.com wrote:
Some follow-up.
This, for example, is from an excellent workshop presentation by Rob
Scarrow:
Errors from large particles are independent of thickness
Yes... one can have a sample that is uniform, or made of small
Hi Yuan, Bruce,
It looks like I need to make a dll with more than 512 paths. I'm
on this, but it might take me a day or so.
--Matt
On Mon, Nov 22, 2010 at 5:09 PM, Bruce Ravel bra...@bnl.gov wrote:
Yuan,
It seems unwise to post a new question at the end of a long and active
thread.
Yuan, All,
I put several Windows dlls for Ifeffit at
http://cars9.uchicago.edu/~ifeffit/src/Win32_dlls/1.2.12/
There are versions there with 256, 512, 1024, and 2048 paths.I
have not tested these beyond loading them, and running a trivial
python script. Please let me know if there are
It's a term taken from x-ray fluorescence spectroscopy, or probably
really any fluorescence spectroscopy, where it has very sensible
meaning: the attenuation of the fluorescence signal by the sample
itself. I would even say it is used mostly correctly in XAFS, or at
least with a similar intent as
Hi George,
On Wed, Nov 3, 2010 at 2:07 PM, George Sterbinsky
georgesterbin...@u.northwestern.edu wrote:
Is it possible that I need to download and install the gfortran-4.2.3.dmg
file in addition to gfortran-42-5577.pkg file? Any suggestions as to what to
try would be appreciated.
I doubt it.
Hi Andrew,
On Mon, Nov 1, 2010 at 12:01 PM, Andrew Korinda
a-kori...@northwestern.edu wrote:
I'm looking to introduce some scripting routines to some of my EXAFS
fitting work. Looking around I ran across the Python module and
downloaded that. The shell works fine, as does enter commands
Hi George,
Feff6 comes built in with the Mac distributions of Ifeffit
(iXAFS.app), and is at
/Applications/iXAFS.app/Contents/Resources/local/bin/feff6.
Is that OK or do you really need Feff7? There's not much in Feff7
that's not in Feff6 (or a whole lot better in Feff8).
FWIW, that version was
Hi Scott,
That's a pretty amazing use case.
But I'm not sure I understand the issue exactly right. I would have
thought the volume (r**3) was the important physical parameter, and
that a 1000nm particle would dominate the spectra over 3nm particles.
Or is it that you are trying to
Hi Elsa,
On Thu, Sep 30, 2010 at 10:33 AM, Elsa Sileo e_si...@yahoo.es wrote:
Dear Matt,
I have to perform EXAFS analysis, and when I tried to fit the first
shell, I found deltaE0 values of about 8 eV. Following the paper of
Kelly et al (Analysis of soils and minerals using X-ray absorption
Dear Elsa,
It sounds like you want to adjust the data chi(k) so that deltaE0 is 0
in a fit. Is that correct, or are you trying to do something else
(say, align the XANES)?If that assumption is correct, you want to
change the E0 used to extract chi(k) from the experimental spectra --
the E0
, credits or license for more information.
import Ifeffit
i = Ifeffit.Ifeffit()
i.ifeffit(show $build)
$build= 1.2.12 Copyright (c) 2005 Matt Newville, Univ of Chicago
0
If I had to guess, I'd look at what DYLD_LIBRARY_PATH is set to. That
should definitely include
Hi All,
OK, sorry for the delay, but I think that
http://cars9.uchicago.edu/~ifeffit/src/iXAFS3.0.3.dmg
should now work well for both Mac OS X 10.6 and 10.5. That is, all
the applications launch for me on a 10.6.5 machine and a 10.5.8
machine, and seem to work as expected. I'll try this on
Hi Josh,
Hi Matt,
Thanks for the quick response. I did run the command from within the horae
install directory, and the file XasPerlBundle.pm is in the Bundle directory,
i.e.,
verrocchio.phys #] pwd
/tmp/horae-070
verrocchio.phys #] ls
. Bundle INSTALL augbuild_private
Hi Josh,
That cpan command should be done from the horae install directory. Saying
perl -MCPAN -e 'install Bundle::XXX'
is looking for the file named XXX.pm (which simply contains a list of
Perl modules)
in the directory Bundle/. I think that if it can't find that, then
it goes to look
Hi Juan,
The data and model are k-weighted and multiplied by the chosen window
function before the least-squares fit. So yes, as you see, the choice
of dk will change a k-space fit. I wouldn't expect it to change the
results by a huge amount no matter how the fit was done. I would
suspect
Hi Juan,
On Fri, Sep 10, 2010 at 7:29 PM, Lezama Pacheco, Juan Salvador
jlez...@slac.stanford.edu wrote:
Reposting, just notice no line breaks, sorry!
Juan
Dear All:
First of all, nicely done you guys! This is indeed
a set great of tools the community really appreciates
it and I have been
iff_init.sh too :-)
Thanks,
Joel + Barb
Today's Topics:
1. Re: iXAFS3.0.2 (Matt Newville)
--
Message: 1
Date: Wed, 8 Sep 2010 11:36:06 -0500
From: Matt Newville newvi
: posix_spawnp: ifeffit: Bad CPU type in executable'. Let me know if
there is any other information that I can provide you with.
Thanks again
Brandon
On Tue, Sep 7, 2010 at 2:15 PM, Matt Newville newvi...@cars.uchicago.edu
wrote:
Hi All,
OK, I put a next attempt for a Mac distribution
Hi Joel, All,
Yes, sorry for that. I'm still learning how to do this. Here's the
latest news (some progress, incomplete):
With Jeff's earlier message I looked into and solved at least one of
the problems: that /Users/Newville/Codes/ifeffit/local/bin/perl
was all over the place and expected.
Hi Folks,
With help from Ken McIvor and Jeff Terry, I've built a new version of
iXAFS for Mac OS X. This version should be considered experimental,
but for the brave and/or foolhardy please try it out and let us know
how it works. This version offers the latest versions of Athena,
Artemis, and
Hi Aranwela,
Thanks for the report. I do think this is a permissions problem.
That's not to say it's not a real problem, just that it should be
solvable. I just tested this by resetting the update level in
config/current.dat, and forcing the updater to run. It worked fine to
download and
Hi Joel,
I updated the Ifeffit-Python extension for Windows, and have put it at:
http://cars9.uchicago.edu/ifeffit/Python
This requires a working windows installation of Ifeffit+, but it does
work on a Mac running Parallels. I've only tested the Python
extension with Python2.6, but I
Yes, Athena, Artemis, Hephaestus, Artemis, and SixPack all run fine
on Windows 7. Even 64bit Windows7. Even on a Mac running Parallels.
--Matt
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Hi Joel,
Sorry that Python scripting is not currently included in the iXAFS
installation or easily available on Mac OS X. I'll work on this and
post it as soon as possible. I am just getting back to having a Mac
with a build system, so it might take me a little time.
For windows, there is
Hi Todd,
That sounds like a permissions problem to me. Some account needs to
be able to write to that file
If updating the updater.ini file is not working, and Laurent's
suggestions don't let you edit that file, you could also try
downloading and installing the update zip files by hand.
Dear Rana,
Delta E0 is a shift in the Energy origin of k, that is where k=0. For
the experimental data, this was chosen empirically (and so somewhat
arbitrarily) from the measured data. For the FEFF calculation, it was
chosen at the calculated absorption threshold (lowest available
electronic
Hi Todd,
On Mon, Jul 26, 2010 at 3:39 PM, Monson, Todd tmon...@sandia.gov wrote:
On Saturday, while starting up Athena, I was informed that there was an
update to Athena available. I tried installing the update but failed. I am
afraid this is due to some user permission issue in windows 7.
Dear Varadarian,
I didn't look at your attachments, but have you considered that there
might be some Cd-Ca in the second shell? I didn't see what value of
x you had in Cd(1-x)CaxO, but if the oxides form a solid solution one
might naively expect the second shell to have (1-x) Cd and x Ca
Hi Chris,
On Mon, Jun 28, 2010 at 3:10 PM, Chris Patridge patri...@buffalo.edu wrote:
Hello all,
I am working on W L3 edge data. W is acting as a substitution dopant in
vanadium dioxide at rather low concentration. In a past mailing
conversation discussing Feff6 overestimation of E0 for
Hi Kleber,
I'd like to use the third cumulant option in Artemis, but considering the
Debye model. Artemis has a Debye function for the second cumulant
(Debye-Waller factor) but not to the third. How could this be done in
Artemis?
The debye and eins functions in Artemis/Ifeffit calculates
Hi David,
There is no explicit protection for disk access to prevent i/o
conflicts between different applications (and nothing specific to NFS
or other networked drives), but disk access is relatively rare and
reasonably well encapsulated.
So, yes there are potential problems, though I don't
Thanks Mauro!
--Matt
On Sat, Feb 20, 2010 at 3:03 AM, Mauro Rovezzi mauro.rove...@esrf.fr wrote:
Dear all,
A short off-topic message to inform you that I have subscribed (in
accord with Matt) the Ifeffit mailing-list to the http://gmane.org
archive. This will permit to follow this
Hi David,
Do you (or can you) see such issues with other applications? I would
probably first try /usr/bin/widget, the Perl/Tk demo code (I think
that should be installed with the debian package), to see if that
ever has the same problem. I might try re-installing (or even
rebuilding from
David,
I suspect that you *should* get sensible error messages from Athena
about running out of Ifeffit resources well before seeing a crash of
X. Not in the sense of Bruce ought to change Athena to report
this, but in the sense of Bruce already does report this.
Generally, Ifeffit/Athena
Bruce's guess is correct:
Athena cannot open files with non-ASCII characters in the file or path name.
--Matt
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Hi Bruce,
Was the problem an ifeffit problem -- truncating strings and then not
recognizing them?? If so, what happened?
P.S. While I am at it, I'll look into the issue of non-ascii
characters in filenames that Mingliang asked about earlier today.
I think this is an Ifeffit problem. Well,
Hi Folks,
Prof. Robert Mayanovic at Missouri Sate University is searching for a
post-doctoral associate to work on materials in extreme conditions.
More details are at http://xafs.org/Jobs
--Matt
___
Ifeffit mailing list
Dear Ying,
On Thu, Jan 14, 2010 at 1:00 PM, Ying Zou z...@uwm.edu wrote:
Dear all,
One colleague of mine brought up this to my attention. He tried a
simple Fourier transformation C code on different machines (PowerPC
based MAC G4, Intel based MAC G5, and PCs). The computations yield
Hi Scott,
I believe we had a conversation about this last January.
XAFS is not sensitive to the crystallographic lattice constants. It
measures the spacing between atoms. Because of thermal vibrations and
other disorder terms, the average distance between atoms is larger
than the distance
Hi Elizabeth,
If you can install as the user who will run athena/artemis, that
should definitely help. As Bruce suggested, the most likely problem
is that Athena/Artemis are trying to write files to a directory they
do not have permission to write to (hope the grammar police are not
reading
Just to follow up a little on Matthew's answer:
The Darwin width is the angular width over which a particular
reflection will diffract. A rocking curve measurement usually leaves
one crystal at a fixed angle and rotates the second crystal. For a
perfectly collimated beam, the resulting
Is there ever a case where a merged reference channel is useful?
I thought the only possible use for a reference channel was for
comparing individual scans. That is, prior to merging.
--Matt
On Thu, Nov 19, 2009 at 6:45 AM, Zajac, Dariusz A.
dariusz.za...@desy.de wrote:
Dear Bruce, Dear All,
Hi Scott
On Thu, Nov 19, 2009 at 9:50 AM, Scott Calvin scal...@slc.edu wrote:
Hi Matt,
I'm the one who requested the merged reference channel.
If the data is ideal, of course only one reference scan is needed. But there
are two common ways it can be nonideal that are relevant:
1) The
Mingliang,
It's not exactly how I would have liked the answers, but the
screenshots of the steps you performed does actually (at least
implicitly) answer to some of the questions:
1) how are you starting Athena and Sixpack? You never actually said this,
before, bbut you are using
Mingliang,
... but you still have not answered the questions I asked earlier.
I'm willing to try to help, but you are not helping me. Answer those
questions, and try to explain more precisely what you mean by When
open SixPack and open Athena.
--Matt
2009/11/11 康明亮 kan...@163.com:
Dear
would you pls open the enclosure
and help me to process it? It is only a little workload(Four reference and
three samples). I just want to know which chemical attribute to the samples,
FeSe, Se(0), FeSe2 or Se(IV).
No.
--Matt
___
Ifeffit
I am not mean you need to help me to process them, I just don't know why
these data can't open in Sixpack or other programm. Is there any problem
with the raw data? Wish to obtain guidance from you.
I have not looked at the data you sent. Did you expect I would? You
have not answered to my
Hi Mingliang,
Sorry for the trouble. It's a little hard to tell what's gone wrong,
but here are some hints: The icon to run athena (and others) simply
runs the program runner.exe in the Ifeffit bin folder (usually
C:\Program Files\Ifeffit\bin). This program sets the path and other
Lisa,
I think the issue you're seeing is most likely due to telling athena
to fit the data between E0+199 and E0+200 with a constant. I'd
recommend expanding that range some to give Athena a chance -- if
there isn't any data between E=E0+199 and E0+200, Athena won't be able
to figure out what
Hi Chris,
There is nothing sacred about Rbkg=1.0 Ang. It was chosen as a
reasonable default. If you know you have atoms much closer than 2Ang,
lowering Rbkg to half the first neighbor distance is a fine place to
start. You may have to play with this value (and the k-weight used in
the
Hi Bhoopesh,
It's amazing to me how many people have asked about this data set.
I did not prepare the sample of Fe3C measured for the data in the
model compound library. Basically, a user interested in reduced iron
phases and with good knowledge of carbides showed up at the beamline
with a
Hi Folks,
There have been two post-doc positions posted at http://xafs.org/Jobs
recently. If you know of anyone who might be interested, please pass
these along.
Cheers,
--Matt Newville
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http
Hi Jan,
You probably need to install the entire Ifeffit perl module (not just
Ifeffit.pm) which should be in a zip file in C:\Program
Files\Ifeffit\build\wrappers\perl
I think you have to unzip this into C:\Perl\, but I'm away from a
machine I can test this on right now (hopefully someone will
Hi Abhijeet,
I am trying to understand the method of Principal Component Analysis. What
is PCA, On what principle it works, How it can be applied to system and to
what type of system it can be applied. I am trying to find the answers of
these questions. If someone can please tell me where I
Hi Scott,
Is this the most recent IXAS report on error reporting standards?
http://www.i-x-s.org/OLD/subcommittee_reports/sc/err-rep.pdf
Yes. To be clear, the main value of reduced chi-square is that it can
be used (even if with some inherent uncertainty) to compare two models
with different
I never got one
--Matt
On Tue, Aug 11, 2009 at 1:47 PM, Julie Olmsted Crossj...@aps.anl.gov 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.
~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~
Dear Fiona,
I think it would be pretty unusual for transmission and fluorescence
data measured at the same time to be of comparable quality and both be
noisy-but-good-enough that merging would actually help. Are you
sure that the data a similar enough (no pinhole or self-absorption
effects) that
Hi Folks,
A Post-Doctoral position using XAFS in Earth Sciences is open at St.
Francis Xavier University, working with Alan Anderson.
More details are at http://xafs.org/Jobs
--Matt
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the instructions given by
Matt Newville and Julie O. Cross in the Diffkk tutorial. Then, I begin to
run diffkk in ifeffit 1.2.11c as follows:
ifeffit run diffkk
ifeffit read diffkk.inp
or
ifeffit run deltaf
ifeffit read deltaf.inp
I become only a file named userenv.log with such comments
Hi Joseph,
I think this thread may have gone under-noticed, so sorry for not responding.
This seems like a really strange situation (how could Feff be getting
path distances wrong??), but I suspect from your message that you may
have been deliberately playing with the intermediate Feff files and
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