IUPAC/CITAC Guide: Evaluation of risks of false decisions in conformity assessment of a substance or material with a mass balance constraint (IUPAC Technical Report)-Reference-Cited by-同舟云学术

IUPAC/CITAC Guide: Evaluation of risks of false decisions in conformity assessment of a substance or material with a mass balance constraint (IUPAC Technical Report)

Published:2023-10-05 Issue:12 Volume:95 Page:1217-1254
ISSN:0033-4545
Container-title:Pure and Applied Chemistry
language:en
Short-container-title:

Author:

Pennecchi Francesca R.¹^ORCID,Kuselman Ilya²^ORCID,Hibbert D. Brynn³^ORCID

Affiliation:

1. Istituto Nazionale di Ricerca Metrologica (INRIM) , Strada delle Cacce 91, 10135 Turin , Italy

2. Independent Consultant on Metrology , 4/6 Yarehim St., 7176419 Modiin , Israel

3. School of Chemistry, UNSW Sydney , Sydney , NSW 2052 , Australia

Abstract

Abstract A Bayesian multivariate approach to the evaluation of risks of false decisions on conformity of chemical composition of a substance or material due to measurement uncertainty is adapted to cases for which the composition is subject to a mass balance constraint. The constraint means that sum of the actual (“true”) values of the composition component contents under conformity assessment is equal to 1 (or 100 %) or another positive value less than 1 (less than 100 %). As a consequence, the actual values of the component contents are intrinsically correlated. Corresponding measured values of the component contents are correlated also. Any correlation can influence evaluation of risks of false decisions in conformity assessment of the substance or material chemical composition. A technique for appropriate evaluation of the relevant risks, including evaluation of the conformance probability of a subject or material composition, is discussed for different scenarios of the data modeling, taking into account all observed correlations. A Monte Carlo method is applied in the R programming language for the necessary calculations. Examples of evaluation of the risks are provided for conformity assessment of chemical composition of a platinum-rhodium alloy, pure potassium trioxidoiodate, a sausage, and synthetic air.

Funder

International Union of Pure and Applied Chemistry

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/pac-2022-0801/pdf

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