Analysis using Ifeffit
Subject: Re: [Ifeffit] Plotting chi(R) from FEFF in XAS Viewer (Larch)
with phase correction
Message-ID:
Content-Type: text/plain; charset="utf-8"
Hi Liam,
Yes, this is not currently available. It would not be hard to enable, but I
am not sure it
Hi Liam,
Yes, this is not currently available. It would not be hard to enable, but
I am not sure it is a great thing to do. I admit that I sort of find that
phase-correction plots need a lot of explanation, and so are prone to
causing confusion. They might be useful for Pt metal, but they canno
Dear all,
In Artemis it is possible to plot chi(R) for FEFF-fit, with the phase corrected
- i.e. bond length corrected for deltaR. This is shown in this screenshot below
("Use this path for phase corrected plotting"). Is this possible in XAS Viewer?
[cid:b58a0f44-1946-4c60-a12e-c1e0bfa50100]
L
thinking about the problem.
Cheers,
Paul
From: Ifeffit on behalf of Matt
Newville
Reply-To: XAFS Analysis using Ifeffit
Date: Tuesday, January 29, 2019 13:21
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] Plotting flattened feffit simulation results
Hi Paul,
On Mon, Jan
Hi Paul,
On Mon, Jan 28, 2019 at 2:57 AM FonsPaul wrote:
> Hi All,
> I have a rather simple question and a reply for either Larch or athena
> would be welcome. I have calculated a number of structures using DFT and
> have run feff on each of the appropriate sites and have then averaged the
Analysis using Ifeffit
Date: Tuesday, January 29, 2019 8:13
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] Plotting flattened feffit simulation results
Thank you for reply. I am calculating structures (aka coordinates that are
used for input to feff) in DFT and ultimately I simply wish
using Ifeffit
Date: Monday, January 28, 2019 20:18
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] Plotting flattened feffit simulation results
Hello,
You said you averaged in E(k)? Is this reciprocal space? Are calculating
XANES or EXAFS spectra with Feff? You said you would
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
Hi All,
I have a rather simple question and a reply for either Larch or athena would
be welcome. I have calculated a number of structures using DFT and have run
feff on each of the appropriate sites and have then averaged the E(k) results.
I have no problem reading in the data to athena, how
Thank you, all, for your responses. I think Leslie's suggestion will do the
trick for now. I did not realize that changing the fitting space
post-fitting would allow me to plot the fit differently. Thanks again!
Ellen
On Tue, Jul 21, 2015 at 7:01 AM, Bruce Ravel wrote:
> On 07/21/2015 08:52 AM,
On 07/21/2015 08:52 AM, Bruce Ravel wrote:
That said, "plot this result in norm(E) for a fit in chi(k)" is a good
and useful idea. I'll put it on my to do list.
So is "plot in chi(k) for this fit in norm(E)", for that matter.
B
--
Bruce Ravel bra...@bn
Leslie had a good suggestion. That would, I think, be close to what you
want.
There is not a button to automate exactly what you want -- not even one
that I've been hiding from Matt all these years.
Another way of doing what you want would be to jot down the best fit
values for the weight
ty of Idaho
875 Perimeter Drive MS 2339
Moscow, ID 83844-2339
208-885-9239
http://scholar.google.com/citations?user=ejpH5p0J
From: ifeffit-boun...@millenia.cars.aps.anl.gov
on behalf of Ellen Daugherty
Sent: Monday, July 20, 2015 7:09 PM
To: XAFS Analysis u
Sorry that I did not explain that clearly. Matt Newville's interpretation is
correct.
Ellen
> On Jul 20, 2015, at 19:41, Matt Newville wrote:
>
> I think Ellen wants to first do a linear combination fit with chi(k) data and
> then look at what that combination of spectral components would
I think Ellen wants to first do a linear combination fit with chi(k) data
and then look at what that combination of spectral components would look
like for the XANES region. It seems like a fine idea to me.
Off the top of my head I don't know the easiest way to do this. I don't
think there is a
Hi Ellen,
Either I’m not understanding what you’re trying to do, or what you’re trying to
do doesn’t make sense.
XANES is generally plotted as mu(E) or norm(E). To get from norm(E) to chi(k),
two things must be done: a smooth background must be subtracted from norm(E),
and E has to be converte
Matt is correct. The graphics in Larch are much better than the graphics in the
old version of ifeffit.
I may go back to using the command line.
Jeff
On Mar 26, 2013, at 6:12 PM, Matt Newville wrote:
>
>
> The poor quality of the graphics in the older versions of Ifeffit /
> Horae was al
Hi,
Sorry for coming in late in this conversation.
I won't disagree that Origin or Igor Pro can be used to make lovely
publication-quality graphics -- those are fine choices.
The poor quality of the graphics in the older versions of Ifeffit /
Horae was always been a disappointment to me. It's
nl.gov] On Behalf Of Eva Vanamee
> Sent: Tuesday, March 26, 2013 3:51 PM
> To: ifeffit@millenia.cars.aps.anl.gov
> Subject: [Ifeffit] plotting
>
> Thanks everyone for the helpful comments! I'll go with exporting to Origin.
> A final question. I am now a Mac user, is there a go
This list of alternatives is pretty near exhaustive:
http://alternativeto.net/software/originlab/
Although I personally use Origin.
On Tue, Mar 26, 2013 at 5:07 PM, Scott Calvin wrote:
> Hi Eva,
>
> Personally, I'm pretty happy with Pro Fit. It's a commercial product (like
> Origin) but is muc
Igor
Simon
-Original Message-
From: ifeffit-boun...@millenia.cars.aps.anl.gov
[mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Eva Vanamee
Sent: Tuesday, March 26, 2013 3:51 PM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] plotting
Thanks everyone for the
Hi Eva,
Personally, I'm pretty happy with Pro Fit. It's a commercial product (like
Origin) but is much cheaper. It's also got the stupidest name imaginable, since
Google will assume you misspelled "profit." With that in mind the website is
http://www.quansoft.com . If you're willing to spend mo
Thanks everyone for the helpful comments! I'll go with exporting to Origin.
A final question. I am now a Mac user, is there a good alternative to Origin?
Best,
- Eva
On Mar 26, 2013, at 2:45 PM,
wrote:
> Send Ifeffit mailing list submissions to
> ifeffit@millenia.cars.aps.anl.gov
>
> T
Hi,
This afternoon I noticed that someone who goes by the handle
"khuonggit" posted a question at David Hughes' gist about installing
Demeter on Ubuntu.
https://gist.github.com/3959252
I hope he is reading this mailing list.
khuonggit asked:
I am beginner in EXAFS. I tried to install D
Joseph,
See the FAQ here (scroll down to "How do I make publication quality
plots..."):
http://cars9.uchicago.edu/ifeffit/FAQ/HoraeQuestions#head-2536b76fd9a517c8cff6b367d89e9fd03cbf5999
-Rich
On Tue, Oct 27, 2009 at 6:33 PM, Joseph Washington wrote:
> Hello all,
> How do I export absorption d
Hello all,
How do I export absorption data showing the pre edge, post edge, and
background function to a text file so I can plot this in origin or excel?
Joseph
--
Joseph Washington
Research Assistant
Department of Physics
North Carolina State University
431 Riddick Hall
Raleigh, NC 27695-8202
Hi Dr. Matsuura,
I am answering CCing this email to the Ifeffit Mailing List
http://cars9.uchicago.edu/mailman/listinfo/ifeffit/
which is the most appropriate forum for asking questions about the
software. If you have not yet joined the mailing list, we encourage
you to do so.
I have also t
Just an amusing aside on this:
Joe Woicik gave a talk at the NSLS Users' Meeting, full of plots from
Artemis and Athena. Every time he was identifying the traces on a
given slide, he'd say something like: "...and Bruce Ravel decided
that the germanium should be given in green..." I don't think
On Wednesday 23 May 2007, Matt Newville wrote:
> Personally, I can seee the appeal of having this (and line colors and
> styles, perhaps) being available from a GUI panel. But I can also
> see that it's not the highest priority.
I concur that more control would be useful, but this is actually a
Hi Clement,
I completely agree with "use a real graphics program for high-quality
graphics" -- I do! But to follow up on Adam's email, it is possible
(if not necessarily easy) to change the plot titles and labels in both
athena and artemis:
Open the Ifeffit buffer (Menu bar->Edit->Display Ifeff
On Wednesday 23 May 2007, Webb, Adam wrote:
> Hi,
>
> In the edit menu there is a handy tool called "Display Ifeffit buffer".
> This shows you the commands that Athena sends to Ifeffit. In fact it is
> possible to send commands yourself. You just enter it into the entry box
> at the bottom of the w
On Wednesday 23 May 2007, Clement Mbudi wrote:
> Can somebody tell how to get rid of the " all marked groups" default title
> when plotting several groups together within Athena environment.
>
> The " change group label" seems to only work for a single group.
>
> Similarly, how to change titles of
Hi,
In the edit menu there is a handy tool called "Display Ifeffit buffer".
This shows you the commands that Athena sends to Ifeffit. In fact it is
possible to send commands yourself. You just enter it into the entry box
at the bottom of the window.
In answer to your question. The way that I k
I don't think (or at least I haven't discovered a way) you can change the
labels as you desire in Athena directly. However, there was a message
that just came on the list recently which suggested a way to modify the
plot. If you are in Windows, you can write out a metafile (cgm or cgmd, I
th
Hi there,
Can somebody tell how to get rid of the " all marked groups" default title
when plotting several groups together within Athena environment.
The " change group label" seems to only work for a single group.
Similarly, how to change titles of both Y and X axes within Athena ?
Thanks.
35 matches
Mail list logo
