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Orthogonal signal correction, wavelet analysis, and multivariate calibration of complicated process fluorescence data
Umeå University, Faculty of Science and Technology, Department of Chemistry. (Computational Life Science Cluster (CLiC))
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2000 (English)In: Analytica Chimica Acta, Vol. 420, no 2, 181-95 p.Article in journal (Refereed) Published
Abstract [en]

In this paper, multivariate calibration of complicated process fluorescence data is presented. Two data sets related to the production of white sugar are investigated. The first data set comprises 106 observations and 571 spectral variables, and the second data set 268 observations and 3997 spectral variables. In both applications, a single response, ash content, is modelled and predicted as a function of the spectral variables. Both data sets contain certain features making multivariate calibration efforts non-trivial. The objective is to show how principal component analysis (PCA) and partial least squares (PLS) regression can be used to overview the data sets and to establish predictively sound regression models. It is shown how a recently developed technique for signal filtering, orthogonal signal correction (OSC), can be applied in multivariate calibration to enhance predictive power. In addition, signal compression is tested on the larger data set using wavelet analysis. It is demonstrated that a compression down to 4% of the original matrix size - in the variable direction - is possible without loss of predictive power. It is concluded that the combination of OSC for pre-processing and wavelet analysis for compression of spectral data is promising for future use.

Place, publisher, year, edition, pages
2000. Vol. 420, no 2, 181-95 p.
Keyword [en]
Multivariate calibration, Orthogonal signal correction, Wavelet analysis, Process fluorescence data, Partial least squares projections to latent structures, Principal component analysis
National Category
Biochemistry and Molecular Biology
URN: urn:nbn:se:umu:diva-8433DOI: 10.1016/S0003-2670(00)00890-4OAI: diva2:148104
Available from: 2008-01-22 Created: 2008-01-22 Last updated: 2013-02-28

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Trygg, JohanWold, Svante
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