Reduction of the Number of Samples for Cost-Effective Hyperspectral Grape Quality Predictive Models

Developing chemometric models from near-infrared (NIR) spectra requires the use of a representative calibration set of the entire population. Therefore, generally, the calibration procedure requires a large number of resources. For that reason, there is a great interest in identifying the most spect...

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Detalhes bibliográficos
Autores: Nogales Bueno, Julio, Rodríguez Pulido, Francisco José, Baca Bocanegra, Berta, Pérez Marín, Dolores, Heredia Mira, Francisco José, Garrido Varo, Ana Mª, Hernández Hierro, José Miguel
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2021
País:España
Recursos:Universidad de Sevilla (US)
Repositório:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:idus.us.es:11441/104911
Acesso em linha:https://hdl.handle.net/11441/104911
https://doi.org/10.3390/foods10020233
Access Level:Acceso aberto
Palavra-chave:hyperspectral imaging
near-infrared
grape quality
sample selection
chemometrics
Descrição
Resumo:Developing chemometric models from near-infrared (NIR) spectra requires the use of a representative calibration set of the entire population. Therefore, generally, the calibration procedure requires a large number of resources. For that reason, there is a great interest in identifying the most spectrally representative samples within a large population set. In this study, principal component and hierarchical clustering analyses have been compared for their ability to provide different representative calibration sets. The calibration sets generated have been used to control the technological maturity of grapes and total phenolic compounds of grape skins in red and white cultivars. Finally, the accuracy and precision of the models obtained with these calibration sets resulted from the application of the selection algorithms studied have been compared with each other and with the whole set of samples using an external validation set. Most of the standard errors of prediction (SEP) in external validation obtained from the reduced data sets were not significantly different from those obtained using the whole data set. Moreover, sample subsets resulting from hierarchical clustering analysis appear to produce slightly better results.