Quantification and handling of nonlinearity in Raman micro-spectrometry of pharmaceuticals.

Brigitta Nagy,Attila Farkas,Attila Balogh,Hajnalka Pataki,Balázs Vajna,Zsombor K Nagy,György Marosi

Journal of Pharmaceutical and Biomedical Analysis（2016）

引用 11|浏览5

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摘要

•GAs and iPLS improved errors of determined concentrations with Raman spectroscopy.•The whole non-linearity of the dataset can be removed by LWR, pPLS or SVM.•High non-linearity appears if a component of high Raman-activity occurs in samples.•Raman map was created with real concentration applying proper quantitative regression.

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关键词

Hyperspectral imaging,Pharmaceutical analysis,Chemometrics,Multivariate regression,Variable selection,Nonlinear behavior

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