Re: [Ifeffit] Bug Report: incomplete data import in Athena when energy is given in keV

Andreas, Kiril, On Thu, Oct 25, 2018 at 6:48 AM Kirill Lomachenko wrote: > Dear Bruce and dear all, > I have the same problem with data import in Athena 0.9.26 that Andreas > has just described and that, if I am not mistaken has already been > mentioned in this mailing list before. > Looking

Re: [Ifeffit] difference of feff interpretation generated by different version of artemis

Hi Qiang, On Wed, Oct 17, 2018 at 9:22 AM woschangqi...@126.com wrote: > Hello, everyone. I recently ran into an issue in using Artemis software. > > I used two versions of Artemis (Artemis 0.8.012 and Demeter 0.9.25) to > generate the paths from the same input file (FeS2.inp), but there is

Re: [Ifeffit] Larch: GSE Mapviewer export error

On Fri, Oct 5, 2018 at 10:11 PM wrote: > > > Hello > > I recently received a series of emails about "Ifeffit". I wonder if you made > a mistake, because I have no idea about the content of the email. > Please confirm if it is convenient. > Thank you, > Um, I don't think a mistake was made.

Re: [Ifeffit] Larch: GSE Mapviewer export error

this and know a way around it? > > Thank you, > Naomi > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > -- --Ma

Re: [Ifeffit] Constraining values in Artemis fit

Andrew, On Thu, Aug 23, 2018 at 10:03 AM Thomas, Andrew (AGW) wrote: > Hello, > > > Does anyone have any suggestions for breaking the correlation between the > coordination number and sigma^2? Specifically, is there a way to set a > maximum or minimum value for parameters in a fit? > Hmm,

Re: [Ifeffit] Modelling texture in Artemis

Hi Kristine, On Mon, Aug 20, 2018 at 5:36 AM Kirstine Dalgaard wrote: > Dear Matt > > > Thank you for the advice. I could figure it out myself, if I know how the > POLARIZATION parameter is interpreted or defined. > > > Where can I find that information? I found this on my own: > > "This card

Re: [Ifeffit] Modelling texture in Artemis

Hi Kristine, On Thu, Aug 16, 2018 at 10:28 AM Kirstine Dalgaard wrote: > (I am not sure this is the correct way to reply to this thread, hopefully > it works) > > > Dear Matt > > > Thank you for your reply! The standard, which is highly textured, is > NbSe2. The Nb K-edge was scanned. > > The

Re: [Ifeffit] Modelling texture in Artemis

Hi Joselaine, On Tue, Aug 14, 2018 at 10:21 AM Joselaine Cáceres gonzalez < joselainecace...@gmail.com> wrote: > Dear all, > > I am new in this group so I don't know if this is the right place to ask > about it, but I´d like to know about LCF performed with Athena in XANES > data. I had some

Re: [Ifeffit] Modelling texture in Artemis

Hi Kristine, On Tue, Aug 14, 2018 at 7:09 AM Kirstine Dalgaard wrote: > Dear all > > > How can texture in a powder sample be modeled in ARTEMIS? > > > I am not sure that it can be. EXAFS is sensitive to local structure around the absorbing atom and is not sensitive to crystallinity or long

Re: [Ifeffit] Ifeff calculation

Hi Dien, On Wed, Aug 15, 2018 at 8:43 AM dien...@srnl.doe.gov wrote: > Hi, Carlo and Matt or others > > Attached please find the cif crystal structure data file for NaReO4 that > was downloaded from Crystallography Open database. As I added it into > Artemis for calculation, it gave error

Re: [Ifeffit] wavelet transforms for EXAFS

Hi Adam, On Tue, Aug 14, 2018 at 7:07 AM Clark Adam Hugh (PSI) wrote: > Hi Matt > > > > I recently had some problems incorporating the larch Cauchy wavelet > transform into my program for rapid bulk processing of QEXAFS data > (discussed >

Re: [Ifeffit] LCF on Larch - EXAFS Region

discuss these issues in somewhat greater detail in my recent (open > access!) article that demonstrates how LCF using AIMD-simulated spectra > yields answers that shell-by-shell fitting struggles with due to multiple > overlapping components: https://pubs.acs.org/doi/10.1021/acs.est.8b00297

Re: [Ifeffit] LCF on Larch - EXAFS Region

Hi Mike, On Thu, Aug 9, 2018 at 10:04 PM Mike Massey wrote: > This is interesting. Could you say more about your skepticism of the > robustness of EXAFS LCF, Matt? > > To be fair, it suffers from many of the same drawbacks of XANES LCF, plus > others. But I'm curious about your thoughts on it

Re: [Ifeffit] LCF on Larch - EXAFS Region

Hi Garret, On Thu, Aug 9, 2018 at 12:27 PM Garret Bland wrote: > Hello! > > I've recently been trying to use Larch instead of Athena for EXAFS > analysis, and I mainly do linear combination fitting for my samples. It > seems that the XANES fitting is doing just fine requesting a specified >

Re: [Ifeffit] XANES from FEFF9

Hi Manju, On Fri, Jul 13, 2018 at 11:55 PM manju rao wrote: > Hi Matt > > As I am new to FEFF, I was estimating SO2 to be equal to 1 for XANES. But > I don't know if it was good to have such guess or not. > ​OK. Just be be clear, using S02=0 will tell Feff to *not* set S02 to 1, and that will

Re: [Ifeffit] XANES from FEFF9

Manju, On Wed, Jul 11, 2018 at 8:04 AM manju rao wrote: > Hi. > > I am trying XANES simulation in FEFF9. My system of calculation is SrZnO2 > and I am simulating Sr K edge. > I noticed that on changing SO2 card from 0.0 to 1.0, there is change in > position as well as profile of absorption

Re: [Ifeffit] Importing 100 element Ge data into Larch

On Fri, Jul 13, 2018 at 1:27 PM Macon Abernathy wrote: > Hey all, > > Has anyone had success loading data from larger pixel arrays into Larch? I > have data collected on a 100 element Ge detector that results in Athena > crashing upon import (running on Mac OS 10.13.4, Demeter v9.25). I figure >

Re: [Ifeffit] using the mail list archive for mac install

Hi Joel, > I ran into the problem that some people seem to have with Demeter on mac while > upgrading to High Sierra. I found a fix on this mail list, but… Yeah, Demeter on MacOS is a continuing challenge. Even when it can be installed, parts of the GUI interaction are pretty buggy (I believe

Re: [Ifeffit] Athena for peak fitting or deconvolution

able. Any > new update now. Thanks. > > > > Dien > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.

[Ifeffit] Larch 0.9.38

Hi Folks, Version 0.9.38 of Larch has been released and binary installers are now available for Windows, MacOS, and Linux. There have been many minor improvements made in the past several months, particularly for the XAS Viewer application. XAS Viewer is now very close to having feature parity

Re: [Ifeffit] data after rebinning look worse in k-space than before?

gt; > >>> Ilya Sinev > >>> > >>> > >>> > >>> > >> > > > > ___ > > Ifeffit mailing list > > Ifeffit@millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > > > > -- > Carlo U. Segre -- Duchossois Leadership Professor of Physics > Interim Chair, Department of Chemistry > Director, Center for Synchrotron Radiation Research and Instrumentation > Illinois Institute of Technology > Voice: 312.567.3498Fax: 312.567.3494 > se...@iit.edu http://phys.iit.edu/~segre se...@debian.org > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > -- --Matt Newville 630-252-0431 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] Demeter on Windows 10 does not work

Hi Vadim, On Mon, Jun 11, 2018 at 6:39 AM sikolen wrote: > Thanks Kathy, > > It seems the problem is really with the wrong path... Now I see how to > fix it. > > ​Can you please let us know which path was wrong and what you did? Your solution might be helpful to others Thanks, --Matt

Re: [Ifeffit] Interpreting old XANES data with missing standards

> about using calculated spectra (e.g., Zheng et al.,2012, NPJ > Computational Materials, 12 -- which uses FEFF) for quantitative > modelling? > In my humble opinion,XANES calculations are useful for identifying features, but are less useful for Linear combination analysis with experimental s

Re: [Ifeffit] FEFF question

Hi Anselm, On Wed, Jun 6, 2018 at 5:30 AM Loges, Anselm G wrote: > Hi Matt, > > > thanks for the quick reply! Your instructions worked, Feff8L is up and > running. > > > ​Great! ​ > I have taken the liberty to write down how to install and run Feff8L from > the GitHub page that ignores the

Re: [Ifeffit] S02

Julian, On Fri, May 25, 2018 at 9:01 AM Julian Ehwald wrote: > Dear Matt, > > > > Thank you for your superfast answer. I obtained new data from the people > at the beamline today, and the set contains both Total electron Yield and > Total fluorescence yield. As far as I

Re: [Ifeffit] S02

On Fri, May 25, 2018 at 5:11 AM Julian Ehwald wrote: > Dear Matt, > > > > I still have questions about Artemis concerning the S0^2. In your > book/summary called XAFS-Fundamentals there is a section at the beginning > of chapter six that says: > > > > “Starting with this

Re: [Ifeffit] temperature dependency of amp parameter

Hi Abdul, On Mon, May 21, 2018 at 3:24 PM Abdul Ahad wrote: > Hi all, > I have little confusion that do i fix or change S2 for each data set > measured at different temperature. The compound is not monoatomic so i used > Einstein model for sigma2. What about amplitude

Re: [Ifeffit] Truncating signal

Hi Julian, On Wed, May 2, 2018 at 6:32 AM, Julian Ehwald wrote: > Hi all, > > > > I have basic question on background removal in Athena. My data has some > strong changes very close to the absorption edge, and if I start the > background removal at k=0, the spline is not able

Re: [Ifeffit] EXAFS fitting for regular & distorted monoclinic

Hi Ashwani, On Wed, Apr 25, 2018 at 1:27 AM, Ashwani Kumar wrote: > Hello everyone, > I am new to the mailing list. i am Fitting data of regular and distorted ( > from irradiation) NBS glass doped with Hafnium. Literature available Hafnia > (monoclinic) data is taken as

Re: [Ifeffit] Larch python instructions

kage that does this, but there may very well be. That functionality would be nice to add to Larch, but Atoms exists and does a fine job. --Matt > Best wishes, > Imad > > > > > From: Matt Newville <newvi...@cars.uchicago.edu> > <newvi...@cars.uchicago.edu> >

Re: [Ifeffit] Beg for Athena install package

Hi Zang, On Mon, Apr 16, 2018 at 1:17 AM, zan...@mail.ustc.edu.cn < zan...@mail.ustc.edu.cn> wrote: > Sir/Madam： > I am sorry to disturbe you! Here, I am a PHD of USTC, China and > I want use the Anthena tool to analysis EXFAS data, my compute is 32-bites > versions, so I beg for a

Re: [Ifeffit] Larch python instructions

h/examples/feffit/feff0001.dat') path1 = feffpath(fname) path2chi(path1) show(path1) newplot(path1.k, path1.chi*path1.k**2, xlabel=r' $ k \rm\, (\AA^{-1})$', ylabel=r'$ k^2\chi(k)$', label = r'$\sigma^2 = 0$', show_legend=True, title=r'$\chi(k)$ from %s' % fname) path1.si

Re: [Ifeffit] Phase shift

Hi Julian, On Tue, Apr 10, 2018 at 1:30 PM, Julian Ehwald wrote: > Dear all, > > > > I have a very general question about the phase shift. I tried to fit a > rather noisy sample of Li2IrO3, where I get a first main peak around 1 > angstroem, according to FEFF calculation

Re: [Ifeffit] Mac install issues

Hi Sam, On Wed, Apr 4, 2018 at 2:50 AM, Webb, Samuel M. wrote: > Hi all - > > I've run into a lot of problems with Mac installs in general with my > compiled XAS programs as well, particularly with the latest High Sierra > update. It's been pointed out to me by a few

Re: [Ifeffit] install for mac error

Hi Bruce, Just for clarification (or perhaps to confuse matters more!), I do not see these warnings or crash with Demeter from github master branch with Perl 5.26 from MacPorts, which is using Text::Template v 1.52 (not 1.47 as Luke attached). I did see the warnings and crash with Demeter

Re: [Ifeffit] install for mac error

Hi Chris, On Mon, Apr 2, 2018 at 4:15 PM, Christopher Patridge wrote: > Hello everyone, > > I tried to install demeter on my mac (running high Sierra) and it appeared > everything went well. However when I run either Athena or Artemis I get an > error shown below about

Re: [Ifeffit] Athena crashes on windows10

Hi Lisa, On Wed, Mar 28, 2018 at 12:56 PM, Lisa Bovenkamp-Langlois < lbovenk...@lsu.edu> wrote: > Hello. > Me and other people running windows 10 have problems with Athena > (demeter version 0.9.26). when switching to the LCF window the program > crashes. > I don't see that problem, and don't

Re: [Ifeffit] Athena (Demeter 0.9.26) does not import all datapoints from ascci file

Hi Tim, On Wed, Mar 28, 2018 at 8:33 AM, Prüßmann, Tim (IKFT) < tim.pruessm...@kit.edu> wrote: > Hi Matt, > > > > that’s it. I manually changed the energy column from keV to eV and it > works. > Huh, OK -- I don't know why that should sometimes cause a problem, but it should be a good clue.

Re: [Ifeffit] Athena (Demeter 0.9.26) does not import all datapoints from ascci file

ains all 275 points, but importing to Athena again > reduces it to 109 points. > > > > > > Tim > > > > > > > > *From:* Ifeffit [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] *On > Behalf Of *Matt Newville > *Sent:* Tuesday, March 27, 2018 2:12 AM >

[Ifeffit] Larch 0.9.37 now available

Athena/Artemis, and I strongly encourage all Athena/Artemis users to install Larch so that it can be used in place of the old and unsupported ifeffit library. --Matt Newville ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.c

Re: [Ifeffit] Athena (Demeter 0.9.26) does not import all datapoints from ascci file

Tim, Kathy, I did not respond to Kathy's earlier email, and I apologize for letting it falling off my radar screen. FWIW, I do not see the same problem. I can read the file (with the Spec plugin enabled) and plot the data. There are 275 data points. Reading multi-column files from can be

Re: [Ifeffit] synthesis of EXAFS via larch

Hi Katy, On Tue, Mar 20, 2018 at 11:34 AM, Katy Smith wrote: > I seem to be able to make some progress in using Larch, thanks to the > developers. I wish to produce a plot in R rather than k, what would be the > equivalent commands to ff2chi, path.k etc as per the >

Re: [Ifeffit] synthesis of EXAFS via larch

//xraypy.github.io/xraylarch/xafs/feffpaths.html#example-adding-feff-files shows how to sum paths together. The Artemis GUI can help you do this, but being able to do this at the scripting level (aka "the hard way") is really not that hard, and can

Re: [Ifeffit] Data Import Error

Nathan, That looks suspiciously like a file generated with Spec. Enabling the "SPEC" (and/or "SpecFileLongLine") plugins in the Plugin registry doesn't seem to work either. I don't know why that doesn't work. I am not an expert at dealing with spec files, but I was able to read this file with

[Ifeffit] call for nominations for the IXAS Awards

Nominations should include a CV with publications, a letter of recommendation and academic referees who can be contacted for further reference. The deadline for nomination is May 1, 2018. Please send nominations by email to IXAS vice chair Matthew Newville newvi...@cars.uchicago.edu Thanks, --Matt

Re: [Ifeffit] larch warning that I don't understand

Hi Bruce, On Tue, Feb 6, 2018 at 4:14 PM, Ravel, Bruce wrote: > > Matt, > > When Larch starts, what is meant by warnings like this: > > No handlers could be found for logger "pyFAI.opencl.common" > > or > > No handlers could be found for logger "pyFAI.gui.matplotlib" > >

Re: [Ifeffit] Artemis having trouble

you're saying that you had to change the location of Feff and Gnuplot in artemis.ini ? What were they, and what did you set them to be? --Matt Best regards, > Sheraz > > On Sun, Feb 4, 2018 at 9:28 AM, Matt Newville <newvi...@cars.uchicago.edu> > wrote: > >> Hi Sheraz, >>

Re: [Ifeffit] Artemis having trouble

Hi Sheraz, Robert suggested "the usual suspects", but your log file makes me suspicious that some of these suspects are still suspect ;). A few things to try: a) Try moving or deleting the "stash" at C:\Users\sgshe\AppData\Roaming\demeter\stash, especially the ...\stash\_dem_dducbins folder.

Re: [Ifeffit] Some questions regarding running Larch code in Python

Hi Hanyu, Sorry for the confusion. The 'Co.inp' file you attached is actually an Atoms.inp file, not a Feff6 or Feff8 input file. If you run that file through WebAtoms, http://cars9.uchicago.edu/webatoms?url=http://cars9.uchicago.edu/atomsdb/Co.inp you'll get a Feff6l input file -- running

Re: [Ifeffit] Units for density in Athena's Booth self-absorption correction?

On Sat, Dec 9, 2017 at 8:30 PM, John Christopher Lin wrote: > Dear XAFS community, > > > I am trying to use the Booth algorithm to correct for self-absorption in > Athena, and one of the input fields is for the density of the material. > What units should be used for the

Re: [Ifeffit] how to import this kind of XAFS data

On Fri, Dec 8, 2017 at 3:00 AM, woschangqi...@126.com wrote: > Hello, dear everyone. > I downloaded a XAFS data about mettalic Ru from the website of *ixs.iit.edu > *. There are 4 groups of information in the data, and > each ranges between ~67800 with

Re: [Ifeffit] Athena: Data cannot be imported by using plugin PFBL12C

I have to admit I find this all sort of disappointing. First, the PFBL12C is a really poor way to represent EXAFS data. It uses a hard-to-parse and hard-to-interpret format and has many unlabeled columns. It appears to include this really odd notion that recording "angle" is somehow better

Re: [Ifeffit] Hephaestus: Absorption Data Source

On Mon, Nov 13, 2017 at 10:34 AM, Bruce Ravel wrote: > On 11/13/2017 11:15 AM, Daniel Przyrembel wrote: > >> Still I can't see any reference to 'Keski-Rahkonen and Krause' in >> > > > http://bruceravel.github.io/demeter/documents/Athena/hephaes > tus.html#absorption > > > Here is

Re: [Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

Hi Michael, On Fri, Sep 15, 2017 at 8:21 AM, Michael Stockenhuber < michael.stockenhu...@newcastle.edu.au> wrote: > Dear mailing list, > > Is there any way to save data as Chi( E),i.e., energy one column and > chi(E) in the 2nd column? This was possible in the past and it would be > great to

Re: [Ifeffit] How to use Artemis with feff85L

Hi Jose, On Thu, Sep 14, 2017 at 3:54 PM, José C. Conesa wrote: > Hi Matt, > > Some comments (hopefully final): > > 1-A Windows version of feff85L (called FEFF8-Lite) is freely available, > with some other codes, at > > http://leonardo.phys.washington.edu/feff/Bin-Source-

Re: [Ifeffit] How to use Artemis with feff85L

Hi Jose, On Thu, Sep 14, 2017 at 2:32 AM, José C. Conesa wrote: > Hi, > > Well, the information on this was somewhat confusing. Thus: > > 1-In the main Artemis window, after importing a .cif file to do a Feff > calculation, the Atoms tab includes in the Export button the

Re: [Ifeffit] How to use Artemis with feff85L

Hi Jose, On Tue, Sep 12, 2017 at 11:54 AM, José Carlos Conesa wrote: > Hi, > > I should like to use feff85L within Artemis (from Demeter 0.9.25), just to > check in my system whether selfconsistency has a role in unifying E0 values > (with feff 6, allowing different E0

Re: [Ifeffit] How to use Larch as backend for Athena and Artemis on Windows

2cfe1368a8ac10c2ebfc5bef4e9a9a325f6d) >>>> cd xraylarch >>>> python setup.py install >>>> >>> # Some dependency related to XRD is not fulfilled. >>> >>> 2. Start Larch server >>> >>> cd %LOCALAPPDATA%\Programs\Python\Python36\Script

Re: [Ifeffit] Athena Crashing on Mac

lution, to this > problem? > > Thank you so much > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mail

Re: [Ifeffit] Help with running GUI

n't worked out the details for that yet. Hope that helps! --Matt Newville 630-252-0431 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] Exporting Curves (as Data rather than Images)

Felix, On Mon, Jun 26, 2017 at 2:36 AM, Felix E. Feiten wrote: > Dear all, > > I think the title is almost enough explanation. > > I would like to export the data corresponding to fits, chi(k), > fourier-transform and back-transform to plot them with a different

Re: [Ifeffit] Hephaestus ion chamber absorption

Hi George, On Mon, May 29, 2017 at 5:57 PM, George Sterbinsky < georgesterbin...@u.northwestern.edu> wrote: > Hello, > > Can anyone explain why the values given by the ion chamber utility in > Hephaestus differ from those given for a 10 cm He filled ion chamber in > figure 3.14 of Grant Bunker's

Re: [Ifeffit] Help--save k(q) data in larger k range

show it out to much further than the data range. Any value that chi(q) may have past the original data range is not very useful.Actually, chi(q) itself is not very useful. --Matt Newville ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov

Re: [Ifeffit] Guess Parameters Getting Stuck

ill almost certainly cause the contribution of that path to chi(k) be 0. Furthermore, a small change in that sigma2 will not change the fit at all -- the variable will have been observed to not be important and will not be updated. Of course, we don't whether suc

Re: [Ifeffit] Calculation of NSS and R-factor

Hello Marine, On Tue, May 16, 2017 at 4:59 AM, Marine Albertelli < marine.alberte...@univ-pau.fr> wrote: > Good afternoon, > > Could you please tell me what is the difference between the calculation of > the R-factor and the NSS ? > > I found that R-factor is equal to : sum((data -

Re: [Ifeffit] E0 on linear combination fitting: fit or not?

Hi Pamela, On Thu, May 11, 2017 at 12:19 PM, Carrillo Sanchez, Pamela < pcarri...@bnl.gov> wrote: > > > > > Hi all, > > > > I have gone through the mail archives as well as following the > instructions of Athena user’s manual as well as Scott Calvin’s book but > still I find myself with the

Re: [Ifeffit] Error importing data into Athena

But also if the program suggests that you need a file plugin, you probably do.From athena's main window there is the "page selection menu". Near the bottom there is "plugin registry". You probably want to select the SSRL ones, and then try reading in the file again. --Matt

[Ifeffit] Fwd: Ifeffit Digest, Vol 170, Issue 19

Hi Matthew, On Thu, Apr 20, 2017 at 5:34 PM, Matthew Marcus wrote: > Does Athena use a histogramming method for Fourier filtering? The autobk() in Ifeffit does. That is, the background mu0(E) and chi(E) are found at all input energy points. This is converted to chi(k) at

Re: [Ifeffit] Ifeffit Digest, Vol 170, Issue 19

Hi Chris, On Thu, Apr 20, 2017 at 5:02 PM, Christopher Thomas Chantler < chant...@unimelb.edu.au> wrote: > Note that in general any and every smoothing operation reduces the > information content of the data and its ability to reveal structure. > Well, maybe. If one has mu(E) measured every

Re: [Ifeffit] the shortest possible K-range ,

Hi Mahmoud, On Tue, Apr 18, 2017 at 5:11 AM, Al Humaidi, Mahmoud < mahmoud.alhuma...@student.uni-siegen.de> wrote: > Hi , > > I want to ask please what is the shortest k-range one can use for "Forward > Fourier transform" > > in my projects I used: > > Spline range k 0.0 - 9.0 > k range in

Re: [Ifeffit] The difference of EXAFS oscillation when using Athena and when using Larch

Hi Yuji, On Mon, Apr 17, 2017 at 9:49 AM, Yuji Mahara < mahara.y...@e.mbox.nagoya-u.ac.jp> wrote: > Dear All, > > > > I am Yuji Mahara at Nagoya University, Japan. > > > > I am using Athena in Demeter 0.9.24 package and Larch 0.9.33 on windows > 10. > > At that time, I am worrying about the

Re: [Ifeffit] question mark in xanes plot athena

Hi Anna, On Thu, Mar 16, 2017 at 6:26 AM, Anna Smith wrote: > Hello, > > I am struggling with the normalization in Athena. When I plot u(E) and > pre-ede and normalization ranges, I get a question mark on the plot instead > of the normal cross (see below). Can you please

Re: [Ifeffit] Multiple data set fit limit

On Wed, Mar 8, 2017 at 1:58 PM, Bruce Ravel 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

Re: [Ifeffit] Multiple data set fit limit

On Wed, Mar 8, 2017 at 8:37 AM, Bruce Ravel <bra...@bnl.gov> wrote: > On 03/08/2017 09:31 AM, Matt Newville wrote: > >> Can Artemis use Larch? >> > Yes. Great. I think that would be a good option for Victor, since the limit on the number of datasets is removed a

Re: [Ifeffit] Multiple data set fit limit

On Wed, Mar 8, 2017 at 8:09 AM, Bruce Ravel wrote: > On 03/08/2017 03:46 AM, Victor Streltsov wrote: > >> The Linux latest version of Artemis limits multiple data set fit to 2 >> data sets. >> >> The input takes any number of data sets but 2 sets is used in the fit >> only. >> >>

Re: [Ifeffit] Units for various parameters of ‘feffNNNN.dat’ file

On Tue, Feb 28, 2017 at 9:48 AM, Bruce Ravel wrote: > > On 02/28/2017 10:10 AM, Samy Ould-Chikh wrote: > >> Dear Ifeffit mailing list, >> >> >> >> I have a question which concern units and I can’t find the answer in the >> Feff manual. >> >> In a FeffNNN.dat output file, what are

Re: [Ifeffit] Segmentation fault: 11

Hi David, Can you let us know which version you are using? I don't see that problem with artemis on OS X. On Wed, Jan 4, 2017 at 5:48 AM, David Sherman wrote: > I often have artemis crash on OS X with segmentation fault 11. It seems > to happen simply when I click on

Re: [Ifeffit] Ifeffit Digest, Vol 166, Issue 12

always the case. Was it ever guaranteed to be the case that XYZ in the feff.inp file was along the original crystallographic axes? I honestly don't know. It does seem like a decent convention to use, and I'd be surprised to see the coordinates rotated by an arbitrary rotation matrix, but I ca

Re: [Ifeffit] Peakfitting CeO2 data in Athena

Peak fitting is not exactly "theoretical XANES analysis", but it is not always done in an ad-hoc manner out of ignorance either. Linear algebra techniques are completely justified too. Hope that helps, --Matt Newville ___ Ifeffit mailing li

Re: [Ifeffit] error on installing demeter on MacOSX 10.11.6

Hi Valerio, Hmm, that seems like some set of packages didn't update completely. What does ~> port installed |grep p5.24.*compress show? For me, it gives p5.24-compress-raw-bzip2 @2.69.0_0 (active) p5.24-compress-raw-zlib @2.69.0_0 (active) p5.24-io-compress @2.69.0_0 (active) If

Re: [Ifeffit] problems installing athena et al under ubuntu 16.04 LTS

Hi Juan, Robert, OK, I was able to reproduce the problem on a Fedora 23 Linux system with the latest versions of Demeter and Larch. I can see that the conversion of energy from eV to keV. Clicking different combinations of the Numerator/Denominator buttons can alter the energy by factors of

Re: [Ifeffit] problems installing athena et al under ubuntu 16.04 LTS

Hi Juan, On Wed, Nov 23, 2016 at 12:43 PM, Juan de la figuera < juan.delafigu...@gmail.com> wrote: > Dear all, > > I have been installing demeter from git under ubuntu 16.04 LTS, following > the non-root instructions from: > https://gist.github.com/waveform80/3959252 > > I also installed

[Ifeffit] Larch 0.9.31

nsider giving these tools a try, and let us know what you think. --Matt Newville ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] Multiple Domains in Athena

Michael, On Sun, Nov 20, 2016 at 5:41 AM, Karl-Michael Schindler < karl-michael.schind...@physik.uni-halle.de> wrote: > Hi. > > I would appreciate hints about how to treat multiple domains in Athena. > The simplest system would be one with only twofold rotational symmetry, but > present in two

Re: [Ifeffit] Athena crashing with "Larch_Server not found"

Sorry for the delay in responding. We're working on trying to get Demeter working with Larch server recently. If you're using the master branch of demeter, you may also need to install the master branch of xraylarch. --Matt On Thu, Nov 10, 2016 at 1:02 PM, Frederik Eistrup

Re: [Ifeffit] Larch as python library

Hi Sean, On Tue, Nov 1, 2016 at 5:35 PM, Sean Fackler <swfack...@lbl.gov> wrote: > Hi Matt, > > On Nov 1, 2016, at 2:00 PM, Matt Newville <newvi...@cars.uchicago.edu> > wrote: > > Hi Sean, > > On Tue, Nov 1, 2016 at 1:39 PM, Sean Fackler <swfack...@lbl

Re: [Ifeffit] Larch mback error report

Hi Sean, On Wed, Oct 12, 2016 at 7:36 PM, Sean Fackler wrote: > Dear Larch developers (Matt), > > I believe I found an error in the mback function where I get a NameError > saying the name ‘f1_chantler’ is not defined. I found that simply adding > f1_chantler to the

Re: [Ifeffit] ifeffit on Mac OS X: fink package

vm from wxPerl sources. Neither of those are actually problems with Demeter. MacPorts does provide wxPerl, which is a huge benefit. Sounds like this is a vivid and comforting community, where i would enjoy > to contribute. > > Great! Cheers, > Michael. > > P.S. This became a long post. > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > --Matt Newville ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] larch on Mac OS X: fink package

Hi Michael, Thanks for the earlier post on Fink vs MacPorts.I'll respond to that (out of order, I know) later today. On Fri, Oct 7, 2016 at 6:52 AM, Karl-Michael Schindler < karl-michael.schind...@physik.uni-halle.de> wrote: > Hi all. > > After fixing wxwidgets and wxpython, a first

Re: [Ifeffit] ifeffit on Mac OS X: fink package

working on it as > well as on demeter, but i did not manage to build it so far. > > Michael. > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: ht

Re: [Ifeffit] problem in data processing in athena

Arkaprava, On Sat, Sep 24, 2016 at 1:24 AM, Arkaprava Das wrote: > Respected Sir, > I am a research scholar in Inter university accelerator centre, new Delhi, > India. I am facing one peculiar problem in athena data processing. I have > attached the .xls file in the

Re: [Ifeffit] Larch user base?

Hi Sean, On Wed, Aug 31, 2016 at 7:25 PM, Sean Fackler wrote: > Hi Matt, > > I do have wxPython installed and wxmplot. I use anaconda which should > handle the obvious dependencies. Is there a list of known dependencies I > should double check? > > if you're using Anaconda,

Re: [Ifeffit] pgplot and ifeffit installation on current linux systems

Hi Anselm, On Fri, Aug 26, 2016 at 6:33 AM, Loges, Anselm G wrote: > Dear all, > > > I hope this is the right platform for my question. If not, sorry to bother > anyone. The question: > > Has anyone successfully installed pgplot and ifeffit on a recent Arch > Linux

Re: [Ifeffit] Demeter Installation issues

Hi Gaurab, On Fri, Aug 19, 2016 at 12:26 PM, Gaurab Rimal wrote: > Hello, > I have been trying to install demeter in my archlinux machine but have > issues in the build process. I had issues installing pgplot from ifeffit > git source so I installed pgplot separately (as

Re: [Ifeffit] Larch user base?

Hi Sean On Mon, Aug 15, 2016 at 12:23 PM, Sean Fackler wrote: > Thanks Matt for the thorough explanation. > > Actually it was Jamie Sethian who asked. I am working on using Larch as a > code basis for doing high-throughput NEXAFS analysis. You can imagine > automating just

Re: [Ifeffit] Larch user base?

Hi Sean, On Sun, Aug 14, 2016 at 4:35 PM, Sean Fackler wrote: > Hello all! > > Do you have an idea of Larch user base or Larch package download stats? > Thanks for any information. > > Funny you should ask. It turns out that a kind and generous NSF Program Manager recently

Re: [Ifeffit] Ifeffit Digest, Vol 162, Issue 17

Hi Chris, On Fri, Aug 12, 2016 at 4:36 PM, Christopher Thomas Chantler < chant...@unimelb.edu.au> wrote: > Topic 1: We have a routine /edit within ifeffit (our modified version) > which propagates and fits uncertainty. > Working on a couple of minor details before passing it on to Matt and >

Re: [Ifeffit] Athena interpolation when removing mono glitches

Hi Michael, On Fri, Aug 12, 2016 at 6:56 AM, Michael Gaultois wrote: > Dear members of the Ifeffit list, > > I recently collected some EXAFS data with some significant monochromator > glitches that I am looking to remove. I have used a python script > graciously written by the

Re: [Ifeffit] Multi-electron peak in Yb

Hi Matthew, No one ever expects lutetium. --Matt ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] Multi-electron peak in Yb

Hi Matthew, Attached is a file of Yb L3 edge on something that was labeled "Yb AC" and measured in fluorescence many years ago, almost certainly in solution. I suspect that "AC" means "acetate". This is a plain ASCII file (not XDI!). The data quality is not great. Does this have the feature

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