Data Management and Data Analysis: The Necessity of Chemometrics and PAT

摘要

Chemical instrumentation accompanied by suitable software provides a formidable toolbox for investigating chemical systems and processes. The chemometrical analysis of the numerous data of such investigations provides characteristic patterns relating to groups (classes), trends, and other relationships. These patterns are interpreted by comparison with patterns from known and well understood systems/processes, making chemometrics particularly useful for the analysis of complicated data from complex systems and processes. A PAT example illustrates the approach. Chemistry is primarily an experimental science, where most of our knowledge is based on experiments and measurements, i.e., data collected under more or less well controlled conditions. Hence, the interpretation of measured data is central to progress in any project and in any field of chemistry, from physical and inorganic, to biochemistry and molecular biology.