IUPAC/CITAC Guide: Investigating out-of-specification test results of chemical composition based on metrological concepts (IUPAC Technical Report)

摘要

A metrological background for investigating out-of-specification (OOS) test resultsudof chemical composition is discussed. When an OOS test result is identified, it is importantudto determine its root causes and to avoid reoccurrence of such results. An investigation of theudcauses based on metrological concepts is proposed. It includes assessment of validation dataudof the measurement process and its metrological traceability chains, evaluation of measurementuduncertainty, and related producer’s and consumer’s risks. This approach allows distinguishingudbetween OOS test results that indicate an actual change in chemical composition ofudan analyzed object, and OOS test results that are metrologically related with a certain confidenceudprobability, i.e., caused by measurement problems, while the analyzed object stilludmeets the specification requirements at the time of testing.udPractical examples illustrating applications of the described approach in environmentaludand food analysis, as well in drug analysis and stability study of drug products, are described.udAcceptance limits, warning and actionlines for the test results, and corresponding producer’sudand consumer’s risks are discussed.