- Ifeffit - millenia.cars.aps.anl.gov

importing larch functionality
by Bruce Ravel 18 Aug '14

18 Aug '14

This: use_plugin_path('xafs') from feffdat import feffpath works as expected. It adds the path to larch's xafs plugins into the search path and imports "feffdat" such that it can be used in the namespace of the plugin I am working on. This fails use_plugin_path('wx') from plotter import newplot, plot with this error message: file <stdin>, line 0 ImportError: cannot import name newplot add_plugin('f85ut') What am I not understanding? newplot (and plot) seem to be exported by wx/plotter.py the same way that feffpath is exported by xafs/feffdat.py. B -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/

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Meaning of linear combination fit reports
by Jens Kruse 18 Aug '14

18 Aug '14

Hi everyone, I doing LCF on my XANES data. I wonder if someone can tell me the meaning of the values in parentheses following the weight value in the Fit results window?. I looked into the respective document section of the Manuel but could not find the answer, yet. I am asking because I did a Fitting with over 20 standards (STD) to find all combination of max 4 standards which describe my unknown sample spectra. This results in a lot of combination with similar chi-square(reduced) and R-values. I know a relative changes between these values are more probably meaningful than absolute values. A lot of the possible combinations provided by after the fit yieled combinations with at lest on STD having a weight of 0.000. (Fit 1). I thought that this would mean, that 3 standards are sufficient to describe the system. However, repeating the fit with only the three standards with weight > 0.0 yielded a complete different proportions (Fit 2). How can this be explain and how should I deal with combinations or standards having a weight of 0.000? Thanks a lot for your thoughts and suggesting, Cheers Paul *Results **Fit 1:* 3: STD3 0.324(0.025) 7: STD7 0.686(0.021) 20: STD2O 0.127(0.016) 27: STD27 0.000(0.036) vs. *Results Fit 2:* 3: STD3 0.473(0.019) 7: STD7 0.620(0.023) 20: STD20 0.000(0.030)

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Questions for Artemis fit
by 이국승 18 Aug '14

18 Aug '14

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Questions for Artemis fit
by 이국승 18 Aug '14

18 Aug '14

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problem of normalization of feff calculation and experimental spectrum
by ZHAN Fei 14 Aug '14

14 Aug '14

Hellow,everyone: When the energy range is too short (for instance 60 70 eV,this moment normal normalization in Athena may not be perfect),how to do the normalization of both the feff calculation and experimental spectrum?I want to let feff calculation fit the experiment , so spectrum normalization had better can be express a parameter to be fited,I'm not sure normal edge jump works,anyone have good idea about it ? Thanks, Sincerely, zhanfei

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The missing feff paths
by 史乾涛 14 Aug '14

14 Aug '14

Hi, I have a problem when I used Demeter 9.18 or 9.20. The Artemis window only show parts of the calculated feff paths such as the followed figure (only 0, 4, 5, 6, 7, 10 paths of the first 10 paths were shown, and where is the other paths?). Did anyone meet this problem and how did you treat it? Many thanks! best regards, Qiantao Shi Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences

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help with XAFS spectrum of NbS2
by Yuanyuan Li 09 Aug '14

09 Aug '14

Hi, We have measured some Nb doped MoS2 samples and want to compare Nb edges of these samples with standard NbS2. If someone has it and would like to share it, it would be great help to us. Thank you very much! Best, Yuanyuan Li Physics Department Yeshiva University

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Re: [Ifeffit] space group P 4/mmc ?
by Bruce Ravel 08 Aug '14

08 Aug '14

On 08/08/2014 03:33 PM, Marinkovic, Nebojsa wrote: > Bruce, > I found the PtO strucutre (WJ Moore, JACS 63 (1941) 1392) reported as P > 4/m m c , but Atoms says "invalid space group". Any clues? > Thanks, > Ned > Hi Ned, I am CCing my answer to the Ifeffit Mailing List since I think this question of general interest. The author is using archaic notation, which is a common problem with crystallography references from the early decades of the 20th century. "P 4/m m c" does not exist in the modern International Tables of Crystallography. See http://en.wikipedia.org/wiki/List_of_space_groups Happily the author also gives the Schoenflies notation. "D^9_4h" is "P 42/m m c" in modern notation. The majority of the symbols Artemis recognizes are given in the Artemis Users' Guide: http://bruceravel.github.io/demeter/artug/atoms/space.html although perhaps not in the most useful manner. The wikipedia page is also useful for resolving a Schoenflies symbol to the corresponding Hermann-Maguin symbol. You can also simply use the Schoenflies symbol in Artemis. The string "D^9_4h" should be recognized by Atoms as the same as "P 42/m m c". B -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/

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Undo in Athena
by Peng Liu 01 Aug '14

01 Aug '14

Hello everyone, I have one more question about undo in Athena, e.g. I accidentally deleted one of the good spectra, how I can get it back. In word, I can go to Edit and click undo, but I haven't found it in Athena. Thanks for your time, Peng -- Ph.D. Candidate Earth and Environmental Sciences, CEIT Bldg. Rm. 2026 University of Waterloo Ph: 519-888-4567 ext. 37232 200 University Avenue West Waterloo, Ontario N2L 3G1 Fax:519-746-3882 p26liu(a)uwaterloo.ca

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larch warning about epics plugin
by Johan Nilsson 01 Aug '14

01 Aug '14

Hello, Today I reinstalled larch after upgrading my computer to Ubuntu 14.04. I downloaded the latest source and installed all the recommended dependencies except PyEpics and then continued with the install. Everything went smoothly and larch appears to be working as it should. However when I start the program I get warning messages about the epics plugin $ larch Larch 0.9.23 (8-Apr-2014) M. Newville, T. Trainor using python 2.7.6, numpy 1.8.1, wx-enabled, wx version 2.8.12.1 Warning: /usr/share/larch/plugins/epics/xrfcontrol.py is not a valid plugin error: ImportError('cannot import name ROI',) Warning: /usr/share/larch/plugins/epics/xrf_detectors.py is not a valid plugin error: ImportError('cannot import name ROI',) Warning: /usr/share/larch/plugins/epics/xspress3.py is not a valid plugin error: ImportError('cannot import name ROI',) I have no plans to use this plugin but I tried to install PyEpics to see if anything would change but it did not. Is this a bug or is there some configuration I can change to get rid of the warnings? --Johan

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