To prepare an international best practice guidance document for the SI-traceable value assignment of the purity (mass fraction content of the main component) of organic compounds intended to be used as primary standards and calibrators for establishing traceable measurement results in analytical chemistry.
Analytical Chemistry Laboratories are required to demonstrate the metrological traceability of their measurement results in order to operate in conformity with the requirements of ISO 17025. In the case of organic analysis, the metrological traceability to the SI of the result of an analysis for an organic compound is generally achieved through linkage to a pure primary calibrator material of the defined compound, the mass fraction purity of which has been established in a manner that is also traceable within a stated uncertainty to the SI. The primary calibrator material may be a Certified Reference Material (CRM) or when not available a laboratory may choose to value assign a pure material with valid methods.
Agreement on what constitute valid methods and best practice to measure the content of the main component of a calibrator material within a stated measurement uncertainty is needed and not currently available. The purpose of this report is to describe the approach, performance and applicability of the main methods used to determine purity:
- Mass balance
- Thermal analysis
- Assay techniques
- Quantitative NMR
In addition a statistical section will recommend how to combine data, deal with value assignment as the upper limit values corresponding to 100% purity are reached, including the use of asymmetric uncertainties, and how to report and propagate the standard uncertainty associated with the assigned values.
The resulting document will provide an international reference document and guidance for analytical laboratories, CRM manufacturers and accreditors on valid methods for the assignment of purity of organic calibrator materials, thus providing the basis for metrological traceability of measurement results and their global metrological comparability.
July 2014 – Project announcement published in Chem. Int. July-Aug 2014, p. 15; DOI: 10.1515/ci.2014.36.4.15a
August 2020 update – The manuscript for a Technical Report has been completed that describes the approach, performance and applicability of the principal methods used to determine organic purity – mass balance, quantitative NMR, thermal methods and other direct assay techniques. A statistical section reviews best practice for combination of data, value assignment as the upper limit values corresponding to 100% purity are reached and how to report and propagate the standard uncertainty associated with the assigned values.
August 2021 update – A review of this project was presented by the TGC during the 2021 IUPAC Congress, in the Society session titled “IUPAC Role in Global Affairs” and recorded with the following abstract:
Last update 8 Sep 2021