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Presenter: Dr Mercedes Bertotto, Wittenborg Univeristy

Title: Bridging Model Validation and Analytical Validation in Spectroscopy: The Role of the Accuracy Profile

Abstract

Near-infrared spectroscopy combined with chemometrics provides powerful non-destructive solutions for qualitative and quantitative analysis across multiple matrices. Ensuring reliable long-term performance demands systematic verification of three fundamental pillars: the instrument, the calibration model, and the analytical method.

Instrument verification focuses on spectral repeatability, signal-to-noise ratio, wavelength accuracy, and photometric stability using metrics such as RMS differences between replicate spectra and master-slave comparisons. Model verification and maintenance involve continuous monitoring of prediction statistics (SECV, RMSEP, RPD, bias, slope), outlier detection, and confirmation that routine samples remain within the calibration domain, with recalibration performed when performance declines.

Particular emphasis will be placed on analytical method validation, where the Accuracy Profile methodology serves as a robust graphical decision tool. This approach defines the domain of validity, establishes limits of quantification (LOQ), and demonstrates key parameters including specificity, trueness, precision, and robustness through β-tolerance intervals and acceptance limits, ensuring the method is fit-for-purpose in real-world applications.

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