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

被引:259
|
作者
Sjöblom, J
Svensson, O
Josefson, M [1 ]
Kullberg, H
Wold, S
机构
[1] Astra Hassle AB, Pharmaceut R&D, Analyt Chem, S-43183 Molndal, Sweden
[2] Gothenburg Univ, S-41296 Gothenburg, Sweden
[3] Astra Prod Liquid Prod, Qual Assurance, Analyt Control, S-15185 Sodertalje, Sweden
[4] Umea Univ, Chemometr Res Grp, S-90187 Umea, Sweden
关键词
chemometrics; spectroscopy; spectrometry; near infrared; orthogonal signal correction; calibration transfer; NIR; diffuse reflectance;
D O I
10.1016/S0169-7439(98)00112-9
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Orthogonal signal correction (OSC) is a technique for pre-processing of, for example, NIR-spectra before they are subjected to a multivariate calibration. 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 applied to new spectra that are going to be used in predictions. The aim of this study is to investigate if the OSC transform makes the spectra less dependent of instrument variation. This may result in easier calibration model transfer 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 signal correction, and a number of other transfer methods. The performance of OSC was on the same level as for piece-wise direct standardisation and spectral offset correction for each individual instrument and PLS-models with both instruments included. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:229 / 244
页数:16
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