Chemometric Methods in Process Analysis

Chemometrics may be loosely defined as the development and application of mathematical and statistical techniques to aid in the analysis of chemical data. The goal of chemometrics is to guide the chemist in the optimum extraction of chemically relevant information from a series of complex chemically oriented observations. To this end, this article addresses a wide array of chemometric tools that are applicable to industrial process analysis. The three main sections present statistical and mathematical tools in the context of univariate, multivariate, and multiway analyses. Each of the three sections discusses the benefits and limitations of qualitative analysis, quantitative analysis, and process monitoring with the class of data in question. Additional sections address the appropriate pretreatment of collected data to aid in efficient analysis and validation of the derived chemometric models. In these sections methods for background correction and instrument standardization are discussed.

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