Re: [Ifeffit] McMaster correction

2011-06-17 Thread John J. Rehr
Hi Scott et al., Thanks for bringing up this issue. Whether or not McMaster corrections are useful does seem to depend on details of the measurement. But my question is: for the cases where they are useful, can one do better? As the data & theory get better and better, perhaps we should try to

Re: [Ifeffit] McMaster correction

2011-06-17 Thread Scott Calvin
Thanks, all! Here's what I got out of the discussion: FEFF is calculating the "correct" chi(k), and applying an approximate correction introduces additional sources of error. But the only way to measure chi(k) is to extract it from unnormalized data, and the original definition of chi was

Re: [Ifeffit] McMaster correction

2011-06-17 Thread Scott Calvin
I apologize if I have abused the list while working on my text. I will find a different channel for raising these questions and requests once the current discussion is complete. --Scott On Jun 16, 2011, at 8:11 PM, Matt Newville wrote: Hope that helps.I have to admit I'm a little uneas

Re: [Ifeffit] McMaster correction

2011-06-17 Thread Matt Newville
HI Scott, I don't think it's abusing the list to bring up topics of discussion. I was just noticing that I was finding myself being more reserved in my answer than if someone had simply asked "what's the McMaster correction and when do I need it"?.I haven't looked at your book chapters partly

[Ifeffit] Temp effect

2011-06-17 Thread Hana
Dear EXAFS experts, I am quite a beginner, and that's might be an ignorant question but really important to my work, so I would be happy to get a direction: what would be the right way to weigh in the effect of temperature in soils samples, since solutions like Debye models will not fit to my un

Re: [Ifeffit] Temp effect

2011-06-17 Thread Matt Newville
Hi Hana, On Fri, Jun 17, 2011 at 2:30 PM, Hana wrote: > Dear EXAFS experts, > I am quite a beginner, and that's might be an ignorant question but really > important to my work, so I would be happy to get a direction: > what would be the right way to weigh in the effect of temperature in soils > s

Re: [Ifeffit] Temp effect

2011-06-17 Thread Shelly Kelly
Hi Hana: I would add that you should expect your sigma2 values to be smaller or the same since you collected data at 10K in comparison to those collected at room temperature. If the origin of the disorder is thermal then your sigma2 values will be a smaller than the RT ones. If the orgin of the

[Ifeffit] SS and MS contributions to EXAFS

2011-06-17 Thread Francisco Garcia
Dear users, I would like to quantify the single scattering (SS) and multiple scattering (MS) contributions to the EXAFS spectra over a range of k values. I adopted the following approach and I would like ask experienced users if my approach is sound: (1) Run a regular EXAFS (default NLEG=8); I as

Re: [Ifeffit] SS and MS contributions to EXAFS

2011-06-17 Thread Matt Newville
Hi Francisco, On Fri, Jun 17, 2011 at 7:34 PM, Francisco Garcia wrote: > Dear users, > > I would like to quantify the single scattering (SS) and multiple > scattering (MS) contributions to the EXAFS spectra over a range of k > values. I adopted the following approach and I would like ask > experi