Abstract
Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yield accurate results from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.
Acknowledgments
We are grateful to Gordon Moore for the loan of the samples from his thesis and 1995 paper. We acknowledge funding from NSF grants EAR-1219761 and -1219850.
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Manuscript handled by Ian Swainson.
© 2016 by Walter de Gruyter Berlin/Boston
