[Ifeffit] PCA in D-Athena

BradleyW Miller Miller.BradleyW at epamail.epa.gov
Wed Aug 22 07:45:26 CDT 2012


I'm new to PCA analyses with my XANES data and started with the D-Athena. 
Are the TT Coefficients similar to a SPOIL value (SPOIL values are 
calculated as the quotient of real error in the target divided by the 
error in the data matrix)? 

I've seen that  one researcher relied on SPOIL values <1 for populating 
his LCF models. The TT values of some of my standards I know to be 
unreasonable  (e.g. reduced standard used for TT of an oxidized sample) 
gave me negative values.  Should I only accept values >0.
Thanks for your time.

Bradley W. Miller, Ph.D. 
Post Doctoral Fellow 
Oak Ridge Institute for Science and Education
U. S. Environmental Protection Agency
National Risk Management Research Laboratory
Land Remediation and Pollution Control Division
5995 Center Hill Avenue, Cincinnati, OH  45224-1702

Office:   (513) 487-2889            Miller.BradleyW at epa.gov
Fax:       (513) 569-7879            www.epa.gov


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