An evaluation of orthogonal signal correction applied to calibration transfer of near infrared spectra

Citation
J. Sjoblom et al., An evaluation of orthogonal signal correction applied to calibration transfer of near infrared spectra, CHEM INTELL, 44(1-2), 1998, pp. 229-244
Citations number
14
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
ISSN journal
01697439 → ACNP
Volume
44
Issue
1-2
Year of publication
1998
Pages
229 - 244
Database
ISI
SICI code
0169-7439(199812)44:1-2<229:AEOOSC>2.0.ZU;2-6
Abstract
Orthogonal signal correction (OSC) is a technique for pre-processing of, fo r example, NIR-spectra before they are subjected to a multivariate calibrat ion. With OSC the X-matrix is corrected by a subtraction of variation that is orthogonal to the calibration Y-matrix. This correction can then be appl ied to new spectra that are going to be used in predictions. The aim of thi s study is to investigate if the OSC transform makes the spectra less depen dent of instrument variation. This may result in easier calibration model t ransfer between different instruments without creating or re-analysing the whole calibration sample set. OSC was applied to MR-spectra that were used in a calibration for the water content in a pharmaceutical product. Partial Least Squares calibrations were then compared to other calibration models with uncorrected spectra, models with spectra subjected to multiplicative s ignal correction, and a number of other transfer methods. The performance o f OSC was on the same level as for piece-wise direct standardisation and sp ectral offset correction for each individual instrument and PLS-models with both instruments included. (C) 1998 Elsevier Science B.V. All rights reser ved.