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Standard Normal Variate, Multiplicative Signal Correction and Extended Multiplicative Signal Correction Preprocessing in Biospectroscopy

 

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Årstall 2007
Abstract Pre-processing is an important first step of the data analysis in order to remove non-relevant information or to separate light scattering phenomena in spectra from chemical absorbance. A major advantage of model-based pre-processing techniques is that they allow considering light scattering phenomena separately from chemical information. This is important in all situations where light scattering phenomena are informative and need to be treated separately. This may avoid that they are interpreted as chemical information. Another advantage of model based pre-processing is that a priori knowledge about scattering phenomena can be build into the pre-processing model. Recently we have presented an approach for estimating and correcting Mie scattering occurring in infrared spectra of single cells as in synchrotron based microscopic. The Mie scattering can be modeled by approximate formulae estimated before being separated from the vibrational absorption using extended multiplicative signal correction (EMSC). Since the Mie scattering is depending non-linearly on the product of radius and refractive index of the medium/sphere causing it, a new method based on principal component analysis (PCA) was developed for estimating the Mie scattering by EMSC for unknown radius and refractive index of the Mie scatterer. The approach is of rather generic nature for handling spectral phenomena with a priori known mathematical approximation model. When a priori knowledge about unwanted interference phenomena is not available, it can be obtained from the dataset by estimating inter-replicate variation.
Referanse Kohler, A., Zimonja, M.S., Segtnan, V.H., Martens, H. 2009. Standard Normal Variate, Multiplicative Signal Correction and Extended Multiplicative Signal Correction Preprocessing in Biospectroscopy In: Comprehensive Chemometrics - Chemical and biochemical data analysis, (Eds Walczak, B., Ferré, R.T., Brown, S.), Elsevier. Vol 2, pp 139-162 ISBN 978-0444527028
Utgiver Elsevier.

Relaterte personer

  • Achim Kohler

    Forsker

    Tlf: +47 64970240

    Mobil: +47 901 80 765

  • Harald Martens

    Seniorforsker

    Tlf: +47 64970291

    Mobil: +47 950 75 025

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