Chemometrics for process analytical technologies - General provisions, and methods for univariate statistics and chemometric processing of data

Chemometrics for process analytical technologies - General provisions, and methods for univariate statistics and chemometric processing of data

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1   Scope

This part of IEC 62829, which is a Technical Report, covers
  • a study into the pre-requisites of chemometric (exploratory) data analysis,
  • an overview of common data analysis procedures for univariate, bivariate and multivariate data analysis,
  • explanations of the basic principles and major application areas of the different methods),
  • some recommendations on the selection of an appropriate data analysis strategy.
These recommendations not covered earlier by other guidance documents on the topic are complemented by some advice on the validation of commercial (at the site of installation) and tailored software for process analytical purposes. Recommendations are given on available reference data sets (Annex B) for benchmarking of software implementing the data analysis methods covered (if available). An application example is given.