Hi Martin and Mike,
Thanks -- I'll take a closer look at your paper on this! I think we all
basically agree that linear analysis of EXAFS can work, but also that
compared to linear analysis of XANES, linear analysis of EXAFS has a few
more caveats and issues that need to be addressed for each ca
Matt,
Glad to read your impressions of EXAFS LCF. I've had reasonable success
with LCF using EXAFS spectra generated by ab initio molecular dynamics
(AIMD) to figure out the local structure of dopants whose preferred
coordination is symmetrically dissimilar from the crystals they inhabit,
i.e. for
Hi Matt,
Thanks for your thoughts. In general, I agree with all of your points, but my
typical uncertainty estimate for both XANES and EXAFS LCF is much greater than
a few percent. Typically I quote 10-15% uncertainty, depending on the analysis.
I particularly agree with your point regarding d
Hi Mike,
On Thu, Aug 9, 2018 at 10:04 PM Mike Massey wrote:
> This is interesting. Could you say more about your skepticism of the
> robustness of EXAFS LCF, Matt?
>
> To be fair, it suffers from many of the same drawbacks of XANES LCF, plus
> others. But I'm curious about your thoughts on it si
Thanks for the reply Matt! I mostly do linear combinations in the XANES
region as well, but with Hg, I also do first derivative of XANES and EXAFS
regions to confirm my fits.
Garret
On Thu, Aug 9, 2018 at 3:57 PM Matt Newville
wrote:
> Hi Garret,
>
> On Thu, Aug 9, 2018 at 12:27 PM Garret Bland
This is interesting. Could you say more about your skepticism of the robustness
of EXAFS LCF, Matt?
To be fair, it suffers from many of the same drawbacks of XANES LCF, plus
others. But I'm curious about your thoughts on it since yours seems to be what
amounts to a "strong opinion" on the subje
Hi Garret,
On Thu, Aug 9, 2018 at 12:27 PM Garret Bland wrote:
> Hello!
>
> I've recently been trying to use Larch instead of Athena for EXAFS
> analysis, and I mainly do linear combination fitting for my samples. It
> seems that the XANES fitting is doing just fine requesting a specified
> regi
Hello!
I've recently been trying to use Larch instead of Athena for EXAFS
analysis, and I mainly do linear combination fitting for my samples. It
seems that the XANES fitting is doing just fine requesting a specified
region to fit (-25 to +75 eV). When I try to fit in the k-space however,
Larch do
