Re: [Ifeffit] Chi in arthemis

2009-08-19 Thread Matt Newville
Hi Scott, Is this the most recent IXAS report on error reporting standards? http://www.i-x-s.org/OLD/subcommittee_reports/sc/err-rep.pdf Yes. To be clear, the main value of reduced chi-square is that it can be used (even if with some inherent uncertainty) to compare two models with different

[Ifeffit] Chi in arthemis

2009-08-18 Thread Eugenio Otal
Hi all, I see that the reports of the fits a perform in arthemis have Chi really big. The fit is really good and the Chi should be closer to 1 than to 100. The problem, is what should I report as the Chi. Uncertain in delr or ss have the same problem, are big like the results. I found the topic in

Re: [Ifeffit] Chi in arthemis

2009-08-18 Thread Scott Calvin
Hi euG, I don't report chi-square at all. I know that the official IXS reports suggest it, but until the question of what to use for the measurement uncertainty is adequately addressed within the community, it seems to me that the number is not very meaningful in an absolute sense. It is

[Ifeffit] Chi in arthemis

2009-08-18 Thread Eugenio Otal
Hi Scott, here I copy a part of the report: Independent points = 6.222656250 Number of variables = 4.0 Chi-square = 247.145092496 Reduced Chi-square = 111.193574128 R-factor= 0.017422216 Guess

Re: [Ifeffit] Chi in arthemis

2009-08-18 Thread Scott Calvin
Hi euG, That amp is not physically reasonable, unless you're using it as a proxy for the coordination number. The uncertainty on the other variables does not seem high to me for a single-shell fit. Well, 2 eV is a bit high for an uncertainty on E0, but not crazy high. There are some

[Ifeffit] Chi in arthemis

2009-08-18 Thread Eugenio Otal
Hi Scott, I forget the amp, I left the N =1, that is the mistake, sorry I have de S02 from other oxide to transfer it. I found that error bars in Ifeffit are scaled by Chi2 reduced, so should I transform the error or inform them directly as reported? Regards, euG

Re: [Ifeffit] Chi in arthemis

2009-08-18 Thread Scott Calvin
Report the error bars as given; otherwise you're reintroducing the unknown measurement uncertainty factor. Then somewhere in your paper cite ifeffit and make clear that you used that method to determine uncertainties. --Scott Calvin Sarah Lawrence College On Aug 18, 2009, at 7:31 PM,

[Ifeffit] Chi in arthemis

2009-08-18 Thread Eugenio Otal
Hi Scott, Thanks for you help. Best Regards, euG ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit