chemometrics and multivariate data analysis

working group chemometrics and multivariate data analysis

Chemometric methods and multivariate evaluation methods are becoming increasingly important in food chemical analysis, especially through the use of high-resolution and multi-dimensional techniques such as NMR or HRMS. The resulting data is extremely complex and the user usually has no other option than to evaluate it with the aid of the device software. These software packages are almost without exception closed systems, ie the user has to rely on a "black box system" and therefore has no control over the algorithms and data preparation steps used. This is to be assessed as critical not only from a validation point of view, but also to the extent that proprietary solutions mean a dependency on the user. The founding meeting of the working group took place on May 3rd, 2017 in Frankfurt.

tasks and goals

The aim of the working group is to make chemometric data evaluation more accessible for users from the food chemical analysis and to develop standardized workflows for typical data sets and analysis techniques. The group of experts will be composed of users of modern analysis techniques and developers of chemometric tools. Ideally, the group provides suggestions and protocols for the uniform handling of complex, multi-dimensional data, which could also be used in future validation guidelines. The working group should be in intensive exchange with international chemometrics experts in order to benefit from existing knowledge, especially in Scandinavia and Italy.

Head of the working group


Prof. Dr. Philipp Weller
Mannheim University of Applied Sciences
Institute for Instrumental Analysis
Paul-Wittsack-Str. 10
68163 Mannheim
Tel .: 0621 292-6484


Dr. Dirk Lachenmeier
Chemical and Veterinary Investigation Office Karlsruhe

Term of office: 2020-2022


Prof. Dr. Stephan Seifert
University of Hamburg


Annual report 2020

Annual report 2019

Annual report 2018

Annual report 2017

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last modified: 27.09.2021 14:15 H from M.Fries