Hi Everyone,
Does anyone know what software I should use to perform a Principal
Component Analysis (PCA) on my K-edge XANES spectra (for sulfur)? The
reason I need to use this technique is because I have a couple of reference
compound spectra but am not sure which of those I should use to fit my
Hallo Teck,
To get the Principal Component Analysis (PCA) program you can contact Dr. André
Roßberg (rossb...@esrf.fr).
Heir some references related to ITFA:
Rossberg, A., Reich, T. Bernhard, G. (2003). Analytical and Bioanalytical
Chemistry 376, 631-638.
Scheinost, A. C., Rossberg, A.,
Dear Teck,
ITFA does transformation factor analysis as well, if you just want to do PCA,
the PCA module in Sam Webb's sixpack is quite intuitive to use.
https://home.comcast.net/~sam_webb/sixpack.html
cheers
Fred
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Athena (IFEFFIT package) does it. So does the ALS Beamline 10.3.2 software
package at https://sites.google.com/a/lbl.gov/microxas-lbl-gov/software .
If you can't get at it there, I can send the executable and manual.
mam
On 7/1/2014 10:59 PM, Teck Kwang Choo wrote:
Hi Everyone,
Does
Choo
PhD Candidate
Department of Chemical Engineering
Room 225, Building 36
Monash University
Mobile No.: 04-11489904
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Dear all,
when I try to solve my question{[Ifeffit] path contribution to fit in low
R-space position, but the fit bond length is much longer than that},I find a
method from Prof.Calvin to distinguish whether coordination shell is composed
by light or heavy element:
On 07/02/2014 01:06 PM, ZHAN Fei wrote:
Dear all,
when I try to solve my question{*[Ifeffit] path contribution to fit in
low R-space position, but the fit bond length is much longer than
that*},I find a method from Prof.Calvin to distinguish whether
coordination shell is composed by light or
