Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools

Abstract

Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.

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Correspondence to Romà Tauler.

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All participants belong to the chemometrics study group of the Division of Analytical Chemistry of EuCheMS.

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Brereton, R.G., Jansen, J., Lopes, J. et al. Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools. Anal Bioanal Chem 409, 5891–5899 (2017). https://doi.org/10.1007/s00216-017-0517-1

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Keywords

  • Chemometrics
  • Experimental design
  • Sampling
  • Data preprocessing
  • Projection methods
  • Data fusion