Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread tony vitova
stion about Eo and simultaneous fitting Tony -- > Should I fit EXAFS spectra of a doped material and the same material, but > oxidized and reduced (three spectra) simultaneously? In my opinion: yes, as > I am looking for small differences. Is varying one Eo for the three samples > the

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Matt Newville
Tony -- > Should I fit EXAFS spectra of a doped material and the same material, but > oxidized and reduced (three spectra) simultaneously? In my opinion: yes, as > I am looking for small differences. Is varying one Eo for the three samples > the right approach? > I am also wondering, should I vary

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Anatoly Frenkel
-Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Scott Calvin Sent: Wednesday, February 14, 2007 10:55 AM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] question about Eo and simultaneous fitting Hi Shelly, Interesting--I've never tried

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Kelly, Shelly D.
L PROTECTED] [mailto:ifeffit- > [EMAIL PROTECTED] On Behalf Of Scott Calvin > Sent: Wednesday, February 14, 2007 9:55 AM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] question about Eo and simultaneous fitting > > Hi Shelly, > > Interesting--I've never trie

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Scott Calvin
Hi Shelly, Interesting--I've never tried that method with samples that I expect to differ in oxidation state. If it's differing in oxidation state, the local environment is probably different too...particularly, nearest-neighbor distances should be changed significantly. So how do you align th

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Kelly, Shelly D.
TECTED] [mailto:ifeffit- > [EMAIL PROTECTED] On Behalf Of Scott Calvin > Sent: Wednesday, February 14, 2007 7:52 AM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] question about Eo and simultaneous fitting > > Hi Tony, > > A quick answer before I try to fight

Re: [Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread Scott Calvin
Hi Tony, A quick answer before I try to fight my way through an ice storm to get to work. :) Fitting the three spectra simultaneously makes sense, but if oxidation state is expected to be different, then you really need different E0's. As far as doping, it depends on the details. In some case

[Ifeffit] question about Eo and simultaneous fitting

2007-02-14 Thread tony vitova
Hi, first I would like to thank all experienced people answering in this forum!! I have learned really a lot from you. And now my question: Should I fit EXAFS spectra of a doped material and the same material, but oxidized and reduced (three spectra) simultaneously? In my opinion: yes, as I