Near- and short-wave infrared spectroscopy has become increasingly relevant for the assessment of plant composition, yet the reproducibility of chemometric models across different instruments remains a major limitation. This work proposes a methodological approach for calibration transfer from a benchtop hyperspectral imaging (HSI) system to a portable SWIR spectrometer, using powdered grapevine leaves as a controlled case study. The strategy relies on Direct Standardization (DS), a technique that transforms spectra acquired under different conditions into a common space. By applying DS to a representative subset of samples, models trained under laboratory conditions can be adapted to spectra acquired with portable devices. Two complementary modelling strategies were adopted: an Error-Correcting Output Codes Support Vector Machine (ECOC-SVM) classifier, used to assess qualitative improvements in class discrimination before and after DS, and an eXtreme Gradient Boosting (XGB) regression model, developed for quantitative prediction of elemental concentrations measured by micro-XRF. Validation on an independent set of homogenized leaf powders confirmed that DS markedly reduced inter-instrument spectral divergence, improving class separability and enabling accurate regression of macro- and micronutrients (Fe, Mn, P, S, Zn, Ca, K, Si). Although limited to laboratory-scale samples, the study demonstrates that calibration transfer is effective in harmonizing spectral domains. The proposed workflow provides a reproducible and scalable methodology for cross-instrument adaptation, with potential applicability to diverse agricultural products and portable spectroscopy platforms.
Capobianco, G., Bonifazi, G., Serranti, S., Tamasi, G., Rossi, C. (2026). Methodological approach for calibration transfer from benchtop to portable SWIR spectrometers: a laboratory-scale study on powdered grapevine leaves. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 358 [10.1016/j.saa.2026.127866].
Methodological approach for calibration transfer from benchtop to portable SWIR spectrometers: a laboratory-scale study on powdered grapevine leaves
Tamasi G.;
2026-01-01
Abstract
Near- and short-wave infrared spectroscopy has become increasingly relevant for the assessment of plant composition, yet the reproducibility of chemometric models across different instruments remains a major limitation. This work proposes a methodological approach for calibration transfer from a benchtop hyperspectral imaging (HSI) system to a portable SWIR spectrometer, using powdered grapevine leaves as a controlled case study. The strategy relies on Direct Standardization (DS), a technique that transforms spectra acquired under different conditions into a common space. By applying DS to a representative subset of samples, models trained under laboratory conditions can be adapted to spectra acquired with portable devices. Two complementary modelling strategies were adopted: an Error-Correcting Output Codes Support Vector Machine (ECOC-SVM) classifier, used to assess qualitative improvements in class discrimination before and after DS, and an eXtreme Gradient Boosting (XGB) regression model, developed for quantitative prediction of elemental concentrations measured by micro-XRF. Validation on an independent set of homogenized leaf powders confirmed that DS markedly reduced inter-instrument spectral divergence, improving class separability and enabling accurate regression of macro- and micronutrients (Fe, Mn, P, S, Zn, Ca, K, Si). Although limited to laboratory-scale samples, the study demonstrates that calibration transfer is effective in harmonizing spectral domains. The proposed workflow provides a reproducible and scalable methodology for cross-instrument adaptation, with potential applicability to diverse agricultural products and portable spectroscopy platforms.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
https://hdl.handle.net/11365/1317635
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