To develop a joint IUPAC/CITAC guide for classification and quantification of risks of false decisions on conformity of a multicomponent material or object to specification or regulation limits of its chemical composition, due to measurement uncertainty.
The guide will be helpful for improvement of understanding of consequences of measurement uncertainty and correct choice of methods for testing chemical composition of multicomponent materials and objects. The opportunity to work with CITAC and prepare a joint guide (as an IUPAC TR), will give the widest possible exposure to our work and justifies, in our opinion, the requested extension.
The present project is an extension of IUPAC project 2016-007-1-500 “Risks of conformity assessment of a multicomponent material or object in relation to measurement uncertainty of its test results”.
In addition to the known classification of risks of conformity assessment for particular components due to measurement uncertainty, the terms of total risks are defined, necessary for characterization of a batch or lot of material in whole. The law of total probability and Bayesian approach are used for evaluation of total risks when actual (true) concentrations of material components are not correlated, and corresponding test results are mutually independent also. When test results are correlated, the Bayesian approach is combined with the multivariate data analysis. Examples from customs control, pharmaceutical industry, metallurgy and environmental analysis are developed. These topics have been discussed in papers published by the project team (Kuselman I. et al.) in Talanta 164 (2017) 189-195 (https://doi.org/10.1016/j.talanta.2016.11.035) and 174 (2017) 789-796 (https://doi.org/10.1016/j.talanta.2017.06.073), under review in Chemosphere and Accreditation and Quality Assurance journals, as well as at some international conferences and workshops on analytical chemistry, quality and metrology.
However, a guide for classification and quantification of risks of false decisions on conformity of a multicomponent material or object due to measurement uncertainty is necessary for implementation of the findings. The present project will allow completion of the work initially planned in the project 2016-007-1-500 and preparation of the corresponding IUPAC/CITAC Guide.
Recent publications by the task group:
“Total risk of a false decision on conformity of an alloy due to measurement uncertainty and correlation of test results”, Talanta, available online 17 July 2018, https://doi.org/10.1016/j.talanta.2018.07.049
“Tutorial and spreadsheets for Bayesian evaluation of risks of a false decisions of a multicomponent material or object due to measurement uncertainty”, Chemometrics and Intelligent Laboratory Systems 182:1-8, available online 15 Sep 2018, https://doi.org/10.1016/j.chemolab.2018.09.004
“Spreadsheet for evaluation of global risks in conformity assessment of a multicomponent material or object”, Ricardo J.N. Bettencourt da Silva, Felipe R. Lourenço, Francesca R. Pennecchi, D. Brynn Hibbert, and Ilya Kuselman, Chemometrics and Intelligent Laboratory Systems (2019), https://doi.org/10.1016/j.chemolab.2019.02.010, Available online 2 March 2019
October 2020 update – Kuselman, I., Pennecchi, F. R., da Silva, R. B., & Hibbert, D. IUPAC/CITAC Guide: Evaluation of risks of false decisions in conformity assessment of a multicomponent material or object due to measurement uncertainty (IUPAC Technical Report), Pure and Applied Chemistry (AOP 29 Oct 2020); https://doi.org/10.1515/pac-2019-0906
Page last updated 2 Nov 2020