Statistical and Computational Models for Accurate Calibration in Spectroscopy-Based Environmental Monitoring

Reliable environmental monitoring (e.g. nutrients, turbidity, chemical oxygen demand) at high frequency requires accurate calibration of the spectroscopic sensors. This paper gives an overview of linear regression calibration methods in the field of Spectroscopy for ecological applications, a summary of the recent literature (2023-2025), as well as a validated numerical example with graphical analysis (calibration curve and residual plot). We highlight best practices (design of standards, residual analysis, cross validation, attention to heteroscedasticity) and address limitations and extensions (calibration transfer, matrix effects, multivariate methods). Results demonstrate that for Beer-Lambert behavior and correct measurement noise characterization, ordinary least squares provides accurate and meaningful calibration models, and that the uncertainty is predictable. Recent datasets and algorithmic developments on calibration transfer and chemometric model validation for practitioners who wish to deploy robust field calibrations are presented.

Publication Details

Journal
Journal of Carcinogenesis
Published
2025-01-01
DOI
https://doi.org/10.64149/j.carcinog.24.9s.160-166
Primary Topic
Water Quality Monitoring and Analysis
Type
article
Field-Weighted Citation Impact
0.00
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article

Statistical and Computational Models for Accurate Calibration in Spectroscopy-Based Environmental Monitoring

Journal of Carcinogenesis
Water Quality Monitoring and Analysis
article

Statistical and Computational Models for Accurate Calibration in Spectroscopy-Based Environmental Monitoring

article en

Abstract

Reliable environmental monitoring (e.g. nutrients, turbidity, chemical oxygen demand) at high frequency requires accurate calibration of the spectroscopic sensors. This paper gives an overview of linear regression calibration methods in the field of Spectroscopy for ecological applications, a summary of the recent literature (2023-2025), as well as a validated numerical example with graphical analysis (calibration curve and residual plot). We highlight best practices (design of standards, residual analysis, cross validation, attention to heteroscedasticity) and address limitations and extensions (calibration transfer, matrix effects, multivariate methods). Results demonstrate that for Beer-Lambert behavior and correct measurement noise characterization, ordinary least squares provides accurate and meaningful calibration models, and that the uncertainty is predictable. Recent datasets and algorithmic developments on calibration transfer and chemometric model validation for practitioners who wish to deploy robust field calibrations are presented.

Journal of Carcinogenesis
Openalex Percentile: Top 65%
Water Quality Monitoring and Analysis
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Statistical and Computational Models for Accurate Calibration in Spectroscopy-Based Environmental Monitoring · Journal of Carcinogenesis (2025) | TGRS Research Map | TGRS