Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-25 Thread Matt Newville
with a compromise between a 6 nm error bar on the low side and an infinitely large error bar on the high side. Compromising with infinity, however, rarely yields sensible results. Thus my question is if anyone can think of a way to extract some sense of these asymmetric error bars from IFeffit

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-25 Thread Scott Calvin
Yes; it's a case of trying to distinguish between a few boulders and lots of pebbles; the total volume isn't the issue. What I'm looking at is something like surface/volume ratio, but with surface being path-dependent and gradual. For a nearest-neighbor path, only the top monolayer of

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-24 Thread Frenkel, Anatoly
: [Ifeffit] Asymmetric error bars in IFeffit Hi all, I'm puzzling over an issue with my latest analysis, and it seemed like the sort of thing where this mailing list might have some good ideas. First, a little background on the analysis. It is a simultaneous fit to four samples, made

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-24 Thread Scott Calvin
From: ifeffit-boun...@millenia.cars.aps.anl.gov ifeffit-boun...@millenia.cars.aps.anl.gov To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov Sent: Fri Oct 22 16:23:08 2010 Subject: [Ifeffit] Asymmetric error bars in IFeffit Hi all, I'm puzzling over an issue

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-23 Thread Matthew Marcus
- Original Message - From: Frenkel, Anatoly To: ifeffit@millenia.cars.aps.anl.gov Sent: Friday, October 22, 2010 6:20 PM Subject: Re: [Ifeffit] Asymmetric error bars in IFeffit Matthew, if you relied on FEFF as one part of the complex calculation, where the other part

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-22 Thread Matthew Marcus
allows a simple way of testing for having it be bulk-like, by setting u=0. mam - Original Message - From: Scott Calvin To: XAFS Analysis using Ifeffit Sent: Friday, October 22, 2010 1:23 PM Subject: [Ifeffit] Asymmetric error bars in IFeffit Hi all, I'm puzzling over

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-22 Thread Frenkel, Anatoly
From: ifeffit-boun...@millenia.cars.aps.anl.gov ifeffit-boun...@millenia.cars.aps.anl.gov To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov Sent: Fri Oct 22 16:23:08 2010 Subject: [Ifeffit] Asymmetric error bars in IFeffit Hi all, I'm puzzling over an issue with my latest

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-22 Thread Matthew Marcus
@millenia.cars.aps.anl.gov Sent: Friday, October 22, 2010 2:38 PM Subject: Re: [Ifeffit] Asymmetric error bars in IFeffit On a related subject, now I understand why we use the concept of chemical transferability of amplitudes and phases by recycling the same FEFF path for different systems

Re: [Ifeffit] Asymmetric error bars in IFeffit

2010-10-22 Thread Frenkel, Anatoly
-boun...@millenia.cars.aps.anl.gov To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov Sent: Fri Oct 22 18:01:17 2010 Subject: Re: [Ifeffit] Asymmetric error bars in IFeffit Another reason, from my point of view, is that FEFF wasn't accurate enough to use on its own without