ArticleMolecules (Basel, Switzerland)2022
The Use of Constituent Spectra and Weighting in Extended Multiplicative Signal Correction in Infrared Spectroscopy.
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Inverse reconstruction of model cells: Extracting structural and molecular insights through infrared spectroscopic cytology.PloS one · 2025Article
- Limits and Prospects of Molecular Fingerprinting for Phenotyping Biological Systems Revealed throughAnalytical chemistry · 2023Article
- Vis-NIR Spectroscopy Combined with GAN Data Augmentation for Predicting Soil Nutrients in Degraded Alpine Meadows on the Qinghai-Tibet Plateau.Sensors (Basel, Switzerland) · 2023Article
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6 authors.
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Abstract
Extended multiplicative signal correction (EMSC) is a widely used preprocessing technique in infrared spectroscopy. EMSC is a model-based method favored for its flexibility and versatility. The model can be extended by adding constituent spectra to explicitly model-known analytes or interferents. This paper addresses the use of constituent spectra and demonstrates common pitfalls. It clarifies the difference between analyte and interferent spectra, and the importance of orthogonality between model spectra. Different normalization approaches are discussed, and the importance of weighting in the EMSC is demonstrated. The paper illustrates how constituent analyte spectra can be estimated, and how they can be used to extract additional information from spectral features. It is shown that the EMSC parameters can be used in both regression tasks and segmentation tasks.
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