Are We There Yet? Is There Such a Thing as an Expert Calibration System for Vibrational Spectroscopy?

Abstract

The development of an expert calibration system (ECS) for spectroscopic-based process analytical chemistry would be a significant advancement aimed at automating the creation of high-quality calibration models for standard zero-order and first-order calibrations as well as multidimensional imaging applications. The concept of ECS would seek to reduce the reliance on users’ extensive knowledge of chemometrics all the while leveraging their domain knowledge and understanding of specific sample physical and chemical properties. By providing automated tools and guidance, an ECS would aim to streamline the calibration process, improve calibration transfer, enhance operator efficiency, and improve the overall consistency and reliability of analytical results produced using advanced chemometrics and machine earning techniques. In this article, we resurrect the discussion from nearly three decades ago.