free chemometric tool
Chemometrics is the science of extracting information from chemical systems by data-driven means. Chemometrics is inherently interdisciplinary, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering. In this way, it mirrors other interdisciplinary fields, such as psychometrics and econometrics.
Tutorial (in construction)
BSc in Industrial Chemistry
BSc in Computer Systems
MSc in Systems and Industrial Processes
PhD in Applied Computing
The software ChemoStat employs Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), Partial Least Squares (PLS) as well as correction methods, data transformation and outlier detection. The data can be imported from the clipboard, text files, image files, ASCII or FT-IR Perkin-Elmer files. It generates a variety of charts and tables that allows the analysis of the results which can be exported in several formats.