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Correction of Temperature-Induced Spectral Variations by Loading Space Standardization

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    Correction of Temperature-Induced Spectral Variations by Loading Space Standardization
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    Centre for Process Analytics and Control Technology, School of Chemical Engineering and Advanced Materials, University of Newcastle upon Tyne, Newcastle upon Tyne, NE1 7RU, U.K.
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    Analytical Chemistry

    Cite this: Anal. Chem. 2005, 77, 5, 1376–1384
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    https://doi.org/10.1021/ac040119g
    Published February 3, 2005
    Copyright © 2005 American Chemical Society
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    Abstract

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    With a view to maintaining the validity of multivariate calibration models for chemical processes affected by temperature fluctuations, loading space standardization (LSS) is proposed. Through the application of LSS, multivariate calibration models built at temperatures other than those of the test samples can provide predictions with an accuracy comparable to the results obtained at a constant temperature. Compared with other methods, designed for the same purpose, such as continuous piecewise direct standardization, LSS has the advantages of straightforward implementation and good performance. The methodology was applied to shortwave NIR spectral data sets measured at different temperatures. The results showed that LSS can effectively remove the influence of temperature variations on the spectra and maintain the predictive abilities of the multivariate calibration models.

    Copyright © 2005 American Chemical Society

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     Corresponding author. Tel.:  +44 191 222 6231. Fax:  +44 191 222 5785. E-mail:  [email protected].

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    Analytical Chemistry

    Cite this: Anal. Chem. 2005, 77, 5, 1376–1384
    Click to copy citationCitation copied!
    https://doi.org/10.1021/ac040119g
    Published February 3, 2005
    Copyright © 2005 American Chemical Society
    Request reuse permissions

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