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http://dx.doi.org/10.5012/bkcs.2011.32.7.2332

Moving Window Principal Component Analysis for Detecting Positional Fluctuation of Spectral Changes  

Ryu, Soo-Ryeon (Department of Chemistry, and Institute for Molecular Science and Fusion Technology, Kangwon National University)
Noda, Isao (The Procter & Gamble Company)
Jung, Young-Mee (Department of Chemistry, and Institute for Molecular Science and Fusion Technology, Kangwon National University)
Publication Information
Bulletin of the Korean Chemical Society / v.32, no.7, 2011 , pp. 2332-2338 More about this Journal
Abstract
In this study, we proposed a new promising idea of utilizing moving window principal component analysis (MWPCA) as a sensitive diagnostic tool to detect the presence of peak position shift. In this approach, the moving window is constructed from a small data segment along the wavenumber axis. For each window bound by a narrow wavenumber region, separate PCA analysis was applied. Simulated spectra with complex spectral feature variations were analyzed to explore the possibility of MWPCA technique. This MWPCA-based detection of the peak shift, potentially coupled with 2D correlation analysis to provide additional verification, may offer an attractive solution.
Keywords
Moving window principal component analysis (MWPCA); 2D correlation spectroscopy; Peak position shifts; Principal component analysis (PCA);
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Times Cited By Web Of Science : 2  (Related Records In Web of Science)
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