fully it was helpful
nonetheless....
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.
Whether you want to do one, the other, both, or neither depends upon the
beamline and the type of data ensemble you have measured.
This /is/ explained in the user manual.
B
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Hi all,
I wonder if anyone has a spectrum of copper fluoride, CuF2, that they
are willing to share. This would be a big help for my undergraduate
student's summer research project.
Thanks!
B
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on the Mac.
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see those warnings and don't understand why
they would show up on a different system.
That said, I can think of a couple ways to suppress those warnings, but
it is something someone would have to volunteer to test for me.
B
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.
Well... neither am I, but that's what the question was
B
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)?
Thanks for the help so far!
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Al Kwiatkowski
kwia...@phys.iit.edu
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slightly different
numbers for the undoped V2O3 compared to the 1970 paper. I have
attached a feff.inp file that I think is correct.
B
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also made a new tag and new release on Demeter's github page.
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uce,
Do you foresee that (in a not far future) Artemis may be adapted so
that it can use the results of feff8.5L?
All the best,
El 12/09/2017 a las 19:11, Bruce Ravel escribió:
Feff8L is not properly integrated into Artemis yet. Sorry. I have
a new beamline these days. It's hard to find time to w
(in a not far future) Artemis may be adapted so that
it can use the results of feff8.5L?
All the best,
El 12/09/2017 a las 19:11, Bruce Ravel escribió:
Feff8L is not properly integrated into Artemis yet. Sorry. I have a
new beamline these days. It's hard to find time to work on the softw
l work on that.
Cool. I was working on it this morning, but didn't like my solution.
Hence the question.
> I'd also like to be able to sensibly handle columns of non numeric
data. Maybe that's too separate a topic
Not this topic but a very good idea nonetheless.
B
--
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Matt,
If I read an ascii file with read_ascii() like so:
a = read_ascii(file)
The "a" group has a data attribute which contains the entire data table
as a 2D array. It also has 1D arrays for each column from the data
table. Those 1D arrays have attribute names taken from the column
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ore we had
software tools for such chores. I am not saying that the values in
setgam.f are wrong -- just not as precise as you might imagine.
B
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On 09/13/2017 09:35 PM, Matt Newville wrote:
Then again, maybe Demeter does come with a working feff8l, and I just
wasn't aware of it.
Not yet. :(
B
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On 08/17/2017 05:16 PM, Bruce Ravel wrote:
That's a thumbs-up from me, Hiroyuki. Carmelo set out to use Larch
specifically to address the problem of processing many MANY files. I
think Athena and PrestoPronto could both have a good place in anyone's
toolbox.
Although I was thrilled
so it is more specific
than "Re: Contents of Ifeffit digest..."
Today's Topics:
1. Re: How to use Larch as backend for Athena and Artemis on
Windows (Bruce Ravel)
2. Re: How to use Larch as backend for Athena and Ar
.log, Athena still uses ifeffit as backend.
perl version: v5.18.2
backend: ifeffit
Should I compile Demeter package by myself to use the Larch backend?
Or, is there any "switch" to use Larch?
Thanks in advance,
ASAKURA, Hiroyuki
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Synchr
under the
peaks will change, introducing systematic error.
It would be interesting to compare this to linear combination analysis
to see if you get the same answers
HTH,
B
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and amplitude parameters
accordingly.
B
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Software
ot certain that is
especially well-justified, but it seems like a reasonable approximation.
B
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ing
or a linux-typo in the program somewhere?
Don't know. Was there any context?
B
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Demeter
hing went awry, but I don't know if it
is an error of the program or of the user. I can't fix a problem I
can't observe.
I understand that this is not the answer you were looking for. I am
simply not seeing the problem you are reporting.
B
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lem (maybe partially)
since you wrote:
On 03/08/2017 10:53 AM, Bruce Ravel wrote:
Well . a multiple data set fit using larch runs to completion and
reports sensible values for parameters, but does not manage the data
sets correctly. One obvious sign that something has gone wrong is the
after-fit plo
.
You will need to find a way to demonstrate to me better how to see what
you are seeing. Perhaps if you saved Artemis project files that I could
then open on my own computer
B
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of a crystallography paper makes some non-standard
choice, Artemis won't know how to deal with it.
B
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) be expressed as
'guess' parameters (Artemis allows only numerical values for N)?
This has been discussed many times on this mailing list. You cn find
that by searching the archives.
B
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http://bruceravel.github.io/demeter/documents/SinglePage/bugs.html
B
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productive,
then I am just going to stop responding.
http://bruceravel.github.io/demeter/documents/SinglePage/bugs.html
B
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Building 743, Room 114
On 03/08/2017 10:53 AM, Bruce Ravel wrote:
Well . a multiple data set fit using larch runs to completion and
reports sensible values for parameters, but does not manage the data
sets correctly. One obvious sign that something has gone wrong is the
after-fit plot attached. Yikes
On 03/08/2017 09:37 AM, Bruce Ravel wrote:
On 03/08/2017 09:31 AM, Matt Newville wrote:
Can Artemis use Larch?
Yes.
B
Well . a multiple data set fit using larch runs to completion and
reports sensible values for parameters, but does not manage the data
sets correctly. One obvious
On 03/08/2017 09:31 AM, Matt Newville wrote:
Can Artemis use Larch?
Yes.
B
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).
That does not seem to be true. I just ran a three-data-set fit on my
Ubuntu 16.04 machine.
If you need to me to do something, you will need to submit a more
informative bug report.
B
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/02/28/amazon-aws-s3-outage-is-breaking-things-for-a-lot-of-websites-and-apps/
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. Your
questions, as asked, is vague and open-ended.
B
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and interpreted as radians.
And I forgot about that page in the Larch manual. It's great that Matt
captured that in the modern documentation.
B
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mis manual.
HTH,
B
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://bruceravel.github.io/demeter/documents/Artemis/monitor.html#the-command-buffer
Does it help to resize the window?
B
On 02/21/2017 03:03 PM, Karl-Michael Schindler wrote:
Am 21.02.2017 um 20:17 schrieb Bruce Ravel <bra...@bnl.gov>:
OK you didn't tell us exactly what you tried to do, you
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hanks
Fuxiang Zhang
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sigma^2s usually can only be approximated by constraint with the SS
sigma^2s.
https://speakerdeck.com/bruceravel/discussion-of-the-fes2-exafs-analysis-example?slide=6
HTH,
B
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any kind of working knowledge of McAfee or any other
AV software, I would be open to a suggestion for how to fix this. Is it
a file /name/ problem -- should phase.bin be called something else? Is
there something in the phase.bin file that triggered McAfee? Any wisd
contains the absorbing element, then it will have an impact on the XAS data.
B
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ated: When I look at Site.pm on my linux box, from line 134
on, it is almost all
purple. z and utag are highlighted in red, as is $self on line 138. The
file looks normal
on github, but if I copy it, these colour changes manifest. I normally
associate
blue with comments, purple with text strings, green for $self
available at this time.
To use Feff's polarization, you have to choose a polarization vector
appropriate to the cluster as written. Or, I suppose, write your own
tool to rotate the cluster to a more convenient orientation.
B
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with the
crystal lattice
and the I4/mmm has the atoms rotated. FEFF sees a difference, and I
would take
the Immm result as the correct one based on the positions of the atoms
in the cluster
relative to the axes.
-R.
On 12/21/2016 6:49 AM, Bruce Ravel wrote:
On 12/19/2016 11:01 PM, Robert Gordon wrote
rotate the polarization vector by 45 degrees ...
I guess I have always considered FEFF's polarization card to be an a
posteriori addition to the feff.inp file -- i.e. a decision that the
user makes after using Atoms to convert crystal data to a cluster in
feff.inp.
B
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I only
investigated at the level of running feff on each one and examining the
first few dozen items in the path list, it seems these two feff input
files yield identical results.
So ... what's the problem?
B
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://bruceravel.github.io/demeter/documents/SinglePage/macinstallation.html
B
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On 12/02/2016 09:01 AM, Bruce Ravel wrote:
Your cif file triggered a very specific bug in my software that has
nothing to do with your recent difficulties.
Had you picked almost any other cif file for any other material, you
would have been fine.
I am guessing you chose this one:
http
so you can try if you can open it on your
artemis
many thanks
marcus
On 01/12/2016 19:26, Bruce Ravel wrote:
On 12/01/2016 01:20 PM, mfehse wrote:
and am now able to launch the athena and it seems to work, however i
still get the error message:
"Could not find Larch Server -- falling
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gracefully
recognizing that you do not have Larch installed.
If you don't want to be looking at the head of the main branch, then you
could download the zip file for the most recently tagged release:
https://github.com/bruceravel/demeter/tree/0.9.25
B
--
B
up Athena, it uses Ifeffit.
Or put the "export" line in your .bashrc to make it persist the next
time you log in.
B
On 12/01/2016 01:18 PM, Bruce Ravel wrote:
On 12/01/2016 12:57 PM, Juan de la figuera wrote:
Is there a switch in demeter to select the backend? Or in other wo
in your ~/.bashrc file
B
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ot;
any ideas what might be the problem?
That seems to be saying that Graphics::GnuplotIF is not installed.
It should have been installed when you did the "./Build installdeps" step.
B
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this cpan/ perl/ demeter installation is probably the trickiest thing i
have ever done, so please excuse my lack of experience
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heckbutton in the groups list)?
Since I am having trouble reproducing the problem, it would help if you
could give me a click-by-click recipe for reproducing the problem.
B
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S
plot.
Kind regards,
Sinead Rowe
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christophe.denau...@unice.fr <mailto:christophe.denau...@unice.fr>
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install.txt).
What is the problem now? Im very sorry for not being able to solve it
myself!
Frederik,
Not sure. At the command line, in the directory where you are running
"./Build test" could you do the following command instead:
prove -bv
and capture /all/ the scree
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.
Propagating the uncertainty in this case is trivial:
delta( 3.0 + delr) = delta(3.0) + delta(delr)
3.0 is a constant, so the error bar in the path length is the same as
the error bar in the variable.
HTH,
B
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possibly know which standards you are looking for.
As always, vague, open ended questions are unlikely to get a response.
Clear, concise questions usually do. Please read:
http://bruceravel.github.io/demeter/documents/SinglePage/help.html
B
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This has been fixed and pushed to the head of the GitHub repository.
The fix will be included in the next Windows installer.
B
On 08/29/2016 09:55 AM, Bruce Ravel wrote:
Victor,
You are correct. That is shockingly broken. I'll let you know when and
how it gets fixed.
B
On 08/28/2016
xplicit recipe of mouse clicks so I can reproduce it on my computer.
B
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nough" data range to make a
useful interpretation of the EXAFS. 200 eV is not a lot -- that will
leave you with only a small handful of independent measurements in your
data, possibly not even enough to reliably determine a first shell bond
length.
B
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ing the FT for the full phase shift is a chore that cannot be
done until something is known about them.
B
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github.io/>https://manjaro.github.io/
Best regards,
Anselm
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Bruce Ravel bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at N
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--
Bruce Ravel bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room 114
Upton NY, 11973
Homepage:http://bruceravel.github.io/home/
Software:
amounts compared to any reasonable estimate of the statistical error.
Not so easy with Ifeffit, quite easier with larch. It's on my to do
list, but has not yet been implemented in Athena.
B
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Bruce Ravel bra...@bnl.gov
National Institute of Standards
e up the stand-alone GUI app.
I acknowledge that the web app that died last January was widely used
and that I am an unredeemable lay-about for not recreating it. But your
criticism is a bit unfair, Matthew.
B
--
Bruce Ravel bra...@bnl.gov
National In
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Bruce Ravel bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room
and
extract a 3d configuration. Artemis does not even try to do that.
B
--
Bruce Ravel bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room 114
Upton NY, 11973
Homepage:http
s/academic/subjects/physics/condensed-matter-physics-nanoscience-and-mesoscopic-physics/introduction-xafs-practical-guide-x-ray-absorption-fine-structure-spectroscopy?format=HB
The library at your university may have either or both of those.
B
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Bruce Ravel --
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