[Ifeffit] Constraining values in Artemis fit

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? Andrew Thomas ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] pre-edge centroid

Enyuan, I've had trouble with fitting in Athena as well and just used Excel and a Gaussian function for the peak. As Domink stated, fitting the edge as an arctan function simultaneously is a large help. I had tried extracting the pre-edge and fitting the peak in Origin as a pseudo-Voight

Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 7

and I couldn't be found in Google Scholar yesterday, but I was lucky to find it in your website. In fact, seeing your response makes me feel, ah, I've come to the right place! Anyway, I'll continue my information-digging and see what I can find. Andrew, thanks for your input. I also tried

Re: [Ifeffit] Crash when Discarding Feff Calculation

. Thanks, B On Saturday, July 07, 2012 04:06:52 PM Andrew Korinda wrote: I have an Arthemis project (started in Demeter) with several feff calculations with the input written by me into a feff.inp boiler plate. The calculations themselves were fine but now when I show a calculation and click

Re: [Ifeffit] Extracting raw values from ATHENA and ARTEMIS plots

Tony, File - Save chi(k) and then choose your weight works in Athena. You can also save multiple data sets at once with Save Marked Groups As (one file with data group names in the header) or Save Each Marked Group As (each gets it's own file). Save Marked Groups As also gives you derivatives,

Re: [Ifeffit] Scripting - Python

Seems you hit the nail on the head. I reinstalled everything and all appears to be working now. Thanks for all the help. Andy Korinda On Thu, Jul 14, 2011 at 10:08 PM, Andrew Korinda a-kori...@northwestern.edu wrote: Ya, I can go back and do that, just glad to have a viable lead. I'll get back

Re: [Ifeffit] Scripting - Python

? The full text from the command shell is attached to spare others following this including an output of my paths. Andy K. On Thu, Jul 14, 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

Re: [Ifeffit] Scripting - Python

Ya, I can go back and do that, just glad to have a viable lead. I'll get back to everyone next week about how it goes but this sounds promising. Andy K. On Thu, Jul 14, 2011 at 10:03 PM, Matt Newville newvi...@cars.uchicago.edu wrote: Hi Andrew, Ah, I believe the problem is due to using 64

Re: [Ifeffit] Question about shift in E0

Sorry Brandon, I see now everything I was asking for was I'm the first few emails. Enot is a local atomic shift in E0 as explained before. (sorry I'm not referencing, I only have my phone available this week) What I understand is you have set E0 to 27944 and 27950 then get Enot of -7 and -1

[Ifeffit] Purple Red E Derivatives

While working in Athena today I noticed something peculiar while looking at the derivative plots of mu(E) data. When I plot the current group (red button) the plot can be spiky. However, when I plot as marked group (purple button) everything is much smoother and more rounded. Smoothed data will do

Re: [Ifeffit] Scripting - Python

...@cars.uchicago.edu wrote: Hi Andrew, On Mon, Nov 1, 2010 at 12:01 PM, Andrew Korinda a-kori...@northwestern.edu wrote: I'm looking t... This is almost certainly due to space in the filename, and is really more of a problem with the fortran than python (or perl for that matter). That is, with a space

[Ifeffit] Scripting - Python

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 directly into Ifeffit, however I'm not getting the read and write commands to work from within Python

[Ifeffit] Differences between fluorescence and transmission of the same sample

! Andrew Fluorescence and transmission.prj Description: Binary data ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Differences between fluorescence and transmission of the same sample

. The samples that I ran were pre-sieved, and the ones included in the .prj file aren't so that should be pursued prior to running the experiment. If they crush the particle and sieve the sample, I think that we can be more certain that this is not the case. This was very helpful! Andrew

Re: [Ifeffit] Ifeffit Digest, Vol 87, Issue 6

advise as well! Thanks for all the help! Andrew ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] SIXPack : How to plot data file

-0.18216700 7071.9974 -0.18503600 7072.8774 -0.18276100 7074.0574 -0.18661000 7075.1174 -0.18699300 7076.0174 -0.18723800 7076.9074 -0.18667400 7077.9074 -0.18584000 7079.0474 -0.19024300 I hope this helps! Andrew Campos

Re: [Ifeffit] How to calculate F-value for XANES PCA results

? Thanks again for all the help and sorry if this is poorly worded, and if this is on the outer-bounds for an IFEFFIT-relevant question. Andrew ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo

[Ifeffit] Cementite EXAFS

this method. I would send my spectrum, but if I can recall we had glitches in the EXAFS region. Andrew Campos ** If you want other iron carbides, this will be quite tricky since this is the only one that can be synthesized to a pure extent... obviously one could make cementite to using an iron melt

[Ifeffit] Cementite EXAFS

to your e-mail as well. Hope this helps, if not (try and comparing it with the one on the XAFS.org, I remember when I checked it was similar). Andrew Campos Fe3C with and without glitches.prj Description: Binary data ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] Fit XANES spectra using Athena

. (There is software that will do this in the IFFEFIT package under Sixpack -- 'pc analysis') Andrew Campos ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] What confidence limit is implied in the error bars

with this technique. Sincerely, Andrew Campos ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] What confidence limit is implied in the error bars for least-squares fitting in Athena

confidence are in the 0.003 error bar reported by Athena? (I have done a PCA of the XANES, and XRDs of the samples and am pretty confident in the phases that I'm fitting). I greatly appreciate the help! Andrew Campos ___ Ifeffit mailing list Ifeffit

[Ifeffit] Inability to plot in any space other than E

Hello, I have some EXAFS data at the S K-edge which all merges very nicely but I can't plot it under anything other than E. The other options are faded out along with all Fourier transform options, Rbkg etc. Is this a comment on the quality of the data (its not great)?! Or is it something else,

Re: [Ifeffit] Mac OS 10.4.11 upgrade and no more Ifeffit

Hi Jeff, Thanks for the tip. I installed iXAFS, ran the program, and got a prompt telling me X11 couldn't be located. So looks like my X11 is somehow corrupted. I'll reinstall the developer tools and hopefully that will solve the problem. Cheers, Andrew