Simple and Efficient Multivariate Calibration of Nonlinear Absorption Spectroscopic Data
Abstract:This paper presents a simple way to extend the regressor variables in partial least-squares (PLS). The method is particularly suited for nonlinear absorption spectra or any other measurements of the soft saturation type. Absorption below a certain limit is described as linear and above this limit as nonlinear. The extension of the regressor variables consists of the absorbances above the linear range. The proposed method is compared with standard PLS. The proposed method gives more parsimonious models and better predictions than standard PLS for the two data sets used in this study, ultraviolet-visible with absorbances in the region 0–2.9.
Document Type: Research Article
Affiliations: Department of Analytical Chemistry, Stockholm University, S-106 91 Stockholm, Sweden
Publication date: January 1, 2001
More about this publication?
- The Society publishes the internationally recognized, peer reviewed journal, Applied Spectroscopy, which is available both in print and online. Subscriptions are included with membership or can be purchased by institutional or corporate organizations. Abstracts may be viewed free of charge. Previously published as Bulletin (Society for Applied Spectroscopy)
- Editorial Board
- Information for Authors
- Submit a Paper
- Subscribe to this Title
- Membership Information
- Request copyrighted SAS materials
- Spectroscopic Nomenclature
- Focal Point (Open Access)
- ingentaconnect is not responsible for the content or availability of external websites