[Ifeffit] q2xafs2017 in August

2017-05-16 Thread fred.mosselmans
Hi For those of you that are not aware, Q2XAFS2017 (the International Workshop on Improving Data Quality in XAFS Spectroscopy) is taking place at Diamond Light Source near Oxford, which is where the spires dream, on 14/15 August this summer. See http://www.q2xafs2017.com/ for details / registr

[Ifeffit] Calculation of NSS and R-factor

2017-05-16 Thread Marine Albertelli
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 - fit)^2)/sum(data^2) and NSS = sum((data - fit)^2)/sum(data^2)*100 But when I compare the R-factor obtained by Athena and the NS

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

2017-05-16 Thread Matt Newville
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 - fit)^2)/sum(da

Re: [Ifeffit] Calculating Ce oxidation state at the L3 edge

2017-05-16 Thread Bruce Ravel
On 05/16/2017 01:31 PM, Stephanie Laga wrote: I have a (hopefully) quick question about calculating oxidation state of CeO2 at the L3 edge. When calculating ox state by taking the ratio of peak areas, is the pre-edge feature for Ce included in this calculation? This point isn't clear to me from

Re: [Ifeffit] Calculating Ce oxidation state at the L3 edge

2017-05-16 Thread Stephanie Laga
Thanks for the response Bruce On Tue, May 16, 2017 at 2:43 PM, Bruce Ravel wrote: > On 05/16/2017 01:31 PM, Stephanie Laga wrote: > >> >> I have a (hopefully) quick question about calculating oxidation state of >> CeO2 at the L3 edge. >> >> When calculating ox state by taking the ratio of peak a