An Enhanced Algorithm for Linear Multivariate Calibration
- 1 February 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Analytical Chemistry
- Vol. 70 (3) , 623-627
- https://doi.org/10.1021/ac970721p
Abstract
We present a new method of linear multivariate calibration that can generate better prediction results than those obtained by partial least squares (PLS). This is accomplished by incorporating the spectrum of the desired species into the calibration procedure. The method combines the advantages of different standard methods and is therefore called hybrid linear analysis (HLA). In side-by-side tests using both simulated and experimental data, HLA produced lower prediction errors than PLS in all instances. We recommend HLA over PLS in situations where the spectrum of the desired species is available.Keywords
This publication has 4 references indexed in Scilit:
- Analytical Method of Estimating Chemometric Prediction ErrorApplied Spectroscopy, 1997
- Rapid, noninvasive concentration measurements of aqueous biological analytes by near-infrared Raman spectroscopyApplied Optics, 1996
- Comparison of multivariate calibration methods for quantitative spectral analysisAnalytical Chemistry, 1990
- Partial least-squares methods for spectral analyses. 2. Application to simulated and glass spectral dataAnalytical Chemistry, 1988