Hi Jenny,
I understand the difference between peak fitting and linear
combination fitting. It is like, If I don't know anything about my
sample, peak fitting should be used. If I know the components of my
sample, I can use linear combination. That is why I use peak fitting
Jenny,
I'm relatively new to the community XAFS, and have not done any sulfur work
thus far... but have you considered doing a principal component analysis on the
XANES of your samples?
This method should help you identify how many phases are present (assuming that
all of your samples aren't
PCA works only if there are series of spectra with change in the makeup of S
species, not for a single spectrum.
Anatoly
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I haven't been following this discussion closely, but actually it is
possible to use PCA to help with a single spectrum of a single sample.
The trick is to use linear combinations of the spectra of the
standards to create spectra which look like mixtures with various
amounts of different
Ciao Sebastiano,
did you use the mu-column of the xmu.dat? If so, the main difference between
the chi.dat and the xmu.dat is that the mue_0 (as calculated by FEFF) is
already subtracted in the former while it needs to be subtracted by Athena in
the latter. Some of the difficulties you
