Calibration transfer of flour NIR spectra between benchtop and portable instruments

Brito, Anna Luiza Bizerra de; Santos, A. V.; Milanez, Karla Danielle Tavares de Melo; Pontes, Márcio José Coelho; Pontes, Liliana Fátima Bezerra Lira

doi:10.1039/c7ay00391a

Cited by 14 publications

(2 citation statements)

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“…One of the most used strategies to calibrate portable spectrometers is to transfer the dataset directly from a benchtop spectrometer through various standardization techniques. 3 In the present trial, it was not possible to transfer directly a laboratory calibration because the scanning monochromator works in a different spectral range, so the Infratec 1241 was used only to provide reference values. Spectra of wheat samples were acquired with the process and the handheld instrument placed side by side, but using different scanning set up.…”

Section: Resultsmentioning

confidence: 98%

Transfer of grain calibrations between a handheld and a process instrument

Benozzo

Berzaghi

2019

Proceedings of the 18th International Conference on Near Infrared Spectroscopy

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Transfer of calibrations between instruments is a key issue to use the value of a calibration over multiple units. Transfer is relatively easy between spectrometers of the same type but can be problematic between different instrument models. Two hundred and seventy samples of wheat from Northern Italy were scanned using a Corona Extreme and an Aurora handheld NIR. Samples (n = 46) from three different locations were removed from the original dataset and used for external validation. The PLS calibrations performances were satisfactory, with SECV for Moisture of 0.09 % and 0.13 % and for Protein of 0.28 % and 0.45 %, respectively for Aurora handheld NIR and Corona Extreme. Performance of validation (SEP) within instrument was of 0.07 % and 0.11 % for Moisture and of 0.27 % and 0.37 % for Protein, for the handheld and the process instrument, respectively. When the same calibrations were used to predict samples across instruments, the SEP was of 0.08 % and 0.19 % for Moisture and of 0.34 % and 0.47 % for Protein, for Corona Extreme predicting Aurora handheld NIR and vice versa, respectively. Both instruments can accurately predict the parameters of interest on wheat and could use the same calibration avoiding time-consuming standardization procedures.

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Section: Resultsmentioning

confidence: 98%

Transfer of grain calibrations between a handheld and a process instrument

Benozzo

Berzaghi

2019

Proceedings of the 18th International Conference on Near Infrared Spectroscopy

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“…Researchers have conducted a lot of research and summary on model transfer methods, including the direct standardization method (DS) [ 4 , 5 ], piecewise direct standardization method (PDS) [ 6 , 7 ] and machine learning-based method [ 8 , 9 , 10 ]. In recent years, the direct standardization and piecewise direct standardization method have been widely used in many fields [ 11 , 12 , 13 , 14 ]. Alves applied the piecewise direct standardization method to overcome matrix effects in front face fluorescence spectroscopy of a mixture when different excipients of acetylsalicylic acid, paracetamol and caffeine were used [ 15 ].…”

Section: Introductionmentioning

confidence: 99%

A Model Transfer Method among Spectrometers Based on Improved Deep Autoencoder for Concentration Determination of Heavy Metal Ions by UV-Vis Spectra

Zhu

Shang

Wan

et al. 2023

Sensors

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Ultraviolet Visible (UV-Vis) spectroscopy detection technology has been widely used in quantitative analysis for its advantages of rapid and non-destructive determination. However, the difference of optical hardware severely restricts the development of spectral technology. Model transfer is one of the effective methods to establish models on different instruments. Due to the high dimension and nonlinearity of spectral data, the existing methods cannot effectively extract the hidden differences in spectra of different spectrometers. Thus, based on the necessity of spectral calibration model transfer between the traditional large spectrometer and the micro-spectrometer, a novel model transfer method based on improved deep autoencoder is proposed to realize spectral reconstruction between different spectrometers. Firstly, two autoencoders are used to train the spectral data of the master and slave instrument, respectively. Then, the hidden variable constraint is added to enhance the feature representation of the autoencoder, which makes the two hidden variables equal. Combined with a Bayesian optimization algorithm for the objective function, the transfer accuracy coefficient is proposed to characterize the model transfer performance. The experimental results show that after model transfer, the spectrum of the slave spectrometer is basically coincident with the master spectrometer and the wavelength shift is eliminated. Compared with the two commonly used direct standardization (DS) and piecewise direct standardization (PDS) algorithms, the average transfer accuracy coefficient of the proposed method is improved by 45.11% and 22.38%, respectively, when there are nonlinear differences between different spectrometers.

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Calibration Transfer Methods

Ying

2022

Chemometric Methods in Analytical Spectroscopy Technology

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Calibration transfer of flour NIR spectra between benchtop and portable instruments

Abstract: This work reports on the use of different strategies of calibration transfer to determine crude protein and fiber properties in samples of flours analyzed with benchtop (primary) and portable (secondary) NIR instruments.

Cited by 14 publications

References 30 publications

Transfer of grain calibrations between a handheld and a process instrument

Transfer of grain calibrations between a handheld and a process instrument

A Model Transfer Method among Spectrometers Based on Improved Deep Autoencoder for Concentration Determination of Heavy Metal Ions by UV-Vis Spectra

Calibration Transfer Methods

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