Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples
20 páginas, 7 figuras, 5 tablas.
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Wiley
2023
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| Subjects: | Errors-in-variables, Measurement error models, Multiplicative signal correction, Near-infrared spectroscopy, Slope attenuation, Type II regression, |
| Online Access: | http://hdl.handle.net/10261/336006 |
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dig-igm-es-10261-3360062023-09-28T12:14:44Z Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples Dhanoa, M.S. López, Secundino Sanderson, R. Lister, S.J. Barnes, R.J. Ellis, J.L. France, J. Innovate UK Aberystwyth University Bangor University Dalehead Foods Limited Dovecote Park Dairy Crest Coombe Farm Waitrose Germinal Seeds López, Secundino [0000-0001-6267-683X] Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression 20 páginas, 7 figuras, 5 tablas. Scatter corrections are commonly applied to refine near-infrared (NIR) spectra. The aim of this study is to assess the impact of measurement errors when using ordinary least squares (OLS) for multiplicative scatter correction (MSC). Any measurement errors attached to the set-mean spectrum may attenuate the OLS slope and that in turn will affect the estimate of the intercept and the adjustment of the spectra when using MSC methods to mitigate scattering. A corrected least squares slope may be used instead to prevent this problem, although the impact of this approach on the final outcome will depend on the relative size of the measurement errors in the individual spectra and the set-mean spectrum. The errors-in-variables or type II regression model (also known as Deming regression) and its special cases, major axis (MA) and reduced major axis (RMA), are discussed and illustrated. The extent of OLS slope bias or attenuation is demonstrated as is the resulting MSC spectral distortion. Further modification to the MSC transformation method is also suggested. The influence of scattering correction (by MSC, standard normal variate (SNV) and detrending) and of using the maximum likelihood estimate of the slope for MSC on the prediction of chemical composition of Lucerne herbage from NIR spectra was assessed. The predictive performance was slightly improved by the use of scattering corrections with fairly minor differences among methods. Nonetheless, it seems well worth considering the use of type II regression models for assessing MSC application aiming at improving the goodness of prediction from NIR spectra. We would like to thank Dr Christina Marley and Mr Rhun Fychan (Institute of Biological, Environmental and Rural Sciences, Aberystwyth University, Gogerddan, Aberystwyth, Ceredigion, SY23 3EB, UK) for providing 54 Lucerne samples (Data Set 3) from ‘Project: The effects of cultivation date and method on the establishment of Lucerne in the UK’ funded through the EFBS (Efficient Forage Based Systems for Ruminants) project (UK), a joint initiative between partners: Dalehead Foods Limited (UK), Dovecote Park (UK), Dairy Crest (UK), Coombe Farm (UK), Waitrose (UK), Germinal Seeds (UK), Bangor University (UK) and Aberystwyth University (UK). The project was funded by the industry partners and co-funded by Innovate UK, the UK's innovation agency Peer reviewed 2023-09-28T11:30:13Z 2023-09-28T11:30:13Z 2023 artículo Journal of Chemometrics: e3511 (2023) http://hdl.handle.net/10261/336006 1099-128X en Publisher's version https://doi.org/10.1002/cem.3511 Sí open Wiley |
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Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression |
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Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression Dhanoa, M.S. López, Secundino Sanderson, R. Lister, S.J. Barnes, R.J. Ellis, J.L. France, J. Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| description |
20 páginas, 7 figuras, 5 tablas. |
| author2 |
Innovate UK |
| author_facet |
Innovate UK Dhanoa, M.S. López, Secundino Sanderson, R. Lister, S.J. Barnes, R.J. Ellis, J.L. France, J. |
| format |
artículo |
| topic_facet |
Errors-in-variables Measurement error models Multiplicative signal correction Near-infrared spectroscopy Slope attenuation Type II regression |
| author |
Dhanoa, M.S. López, Secundino Sanderson, R. Lister, S.J. Barnes, R.J. Ellis, J.L. France, J. |
| author_sort |
Dhanoa, M.S. |
| title |
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| title_short |
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| title_full |
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| title_fullStr |
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| title_full_unstemmed |
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| title_sort |
methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near-infrared spectra of forage feed simples |
| publisher |
Wiley |
| publishDate |
2023 |
| url |
http://hdl.handle.net/10261/336006 |
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