Dev, As Bruce points out, the error message is somewhat ambiguous. There is a setting in (D)Artemis, completely separate from the Feff calculation, that allows one to set the range in R-space of your data that is fit with the chosen paths you include from the Feff calculation.
I would also say that this is not really an error, per se, but more of an warning. I am not at my computer right now but I will send a highlighted screen show of Artemis and where one would change the R-space range value for rmax. I hope that clears up the confusion, Chris On Wed, Feb 20, 2013 at 10:54 AM, Devender <dev...@rpi.edu> wrote: > Dr. Patridge, > > Thanks for suggestion. I am not sure if I get completely, I do understand > the difference of Rmax in artemis and feff. You mean make changes in rmax > in feff input file? I did that and attached are screenshots for that but I > am still getting the same error. Let me know if I interpreted your > suggestion wrongly. > > Dr. Kicaj, I am studying doping problems and it's important I get fitting > from second and subsequent shells as there are new peaks that shows up at > higher radial distances. > > Regards, > Dev > > > On Wed, Feb 20, 2013 at 8:26 AM, Christopher Patridge < > patri...@buffalo.edu> wrote: > >> Dev, >> >> I don't know if my email was received. The think the problem is what you >> interpret as rmax. Rmax in artemis is the maximum value of R that you fit >> the data with, whereas rmax in feff is the largest distance from the center >> absorbing when calculating all the paths. >> >> The reason changing the rmax in feff does remove the error is that you >> must change the fitting range in (D)Artemis. I think the default vaue is ~ >> 3 A. >> >> Chris >> >> ******************************** >> Christopher J. Patridge, PhD >> NRC Post Doctoral Research Associate >> Naval Research Laboratory >> Washington, DC 20375 >> Cell: 315-529-0501 >> >> On 2/20/2013 3:13 AM, "Dr. Dariusz A. Zając" wrote: >> >> Dev, >> >> I work with older Ifeffit version thus I can not help you much - I can >> not open (Artemis) or work (Athena) with projects... >> I have only one question - do you need to fit paths about 4A? >> >> I hope that someone on this mailing list will check your files >> >> regards >> kicaj >> >> >> W dniu 13-02-19 17:47, Devender pisze: >> >> Dr. Kicaj, >> >> I tried that too, went till 8 A, but it is still showing same error >> whereas R effective for second shell paths are 4.4 and 4.7 A. I have also >> attached athena file and artemis project file for my data for reference. >> >> -Dev >> >> On Tue, Feb 19, 2013 at 10:57 AM, "Dr. Dariusz A. Zając" < >> ki...@ifj.edu.pl> wrote: >> >>> Hi, >>> >>> could you check if the same error appears if you give the Rmax of, >>> let's say, 8A or even 6.5A? >>> For higher R, the paths sometimes does not look like a single "gaussian" >>> peak, but has some kind of "satellites". You have to also remember that >>> each path consists of the real and imaginary part. >>> >>> Regards >>> kicaj >>> >>> >>> >>> W dniu 13-02-19 16:42, Devender pisze: >>> >>> Hi, >>> >>> I am trying to fit Bi2Te3 exafs data using artemis. I am able to fit >>> first shell (screenshot of fit is attached, I have also attached 'atoms' >>> and 'feff' files for reference) but when I am trying to include second >>> shell, I am getting the error (attached file- Fit_error.log). Error reads >>> that- "The R effective for this path is well beyond the rmax value of its >>> Data object." but I am already using Rmax of 6 A and Reff of these path are >>> less than 5 A in my fit. I will appreciate if anyone can guide me or point >>> me where I am making mistake. >>> >>> Regards, >>> -- >>> Devender >>> Graduate Student, Materials Science and Engineering >>> Rensselaer Polytechnic Institute, Troy, NY >>> Website <https://sites.google.com/site/devendermaun/> >>> >>> >>> >>> _______________________________________________ >>> Ifeffit mailing >>> listifef...@millenia.cars.aps.anl.govhttp://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >>> >>> >>> >>> _______________________________________________ >>> Ifeffit mailing list >>> Ifeffit@millenia.cars.aps.anl.gov >>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >>> >>> >> >> >> -- >> Devender >> Graduate Student, Materials Science and Engineering >> Rensselaer Polytechnic Institute, Troy, NY >> Website <https://sites.google.com/site/devendermaun/> >> >> >> >> _______________________________________________ >> Ifeffit mailing >> listifef...@millenia.cars.aps.anl.govhttp://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >> >> >> _______________________________________________ >> Ifeffit mailing >> listifef...@millenia.cars.aps.anl.govhttp://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit@millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> > > > -- > Devender > Graduate Student, Materials Science and Engineering > Rensselaer Polytechnic Institute, Troy, NY > Website <https://sites.google.com/site/devendermaun/> > > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > -- Christopher J. Patridge PhD. Contact: (315)-529-0501
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit