Toman, B.
, Nelson, M.
and Lippa, K.
(2016),
Evaluation of chemical purity using quantitative 1H-nuclear magnetic resonance, Metrologia, [online], https://doi.org/10.1088/0026-1394/53/5/1193
(Accessed April 24, 2024)
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Evaluation of chemical purity using quantitative 1H-nuclear magnetic resonance
Published
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Abstract
Chemical purity assessment using quantitative 1H-nuclear magnetic resonance spectroscopy is a method based on ratio references of mass and signal intensity of the analyte species to that of chemical standards of known purity. As such, it is an example of a calculation using a known measurement equation with multiple inputs. Though multiple samples are often analyzed during purity evaluations in order to assess measurement repeatability, the uncertainty evaluation must also account for contributions from inputs to the measurement equation. Furthermore, there may be other uncertainty components inherent in the experimental design, such as independent implementation of multiple calibration standards. As such, the uncertainty evaluation is not purely bottom up (based on the measurement equation) or top down (based on the experimental design), but inherently contains elements of both. This type of uncertainty analysis is readily suitable for an application of Bayesian statistical analysis. In this article we describe this type of analysis in detail and illustrate it using data from an evaluation of chemical purity and its uncertainty for a folic acid material.Citation
Metrologia
Volume
53
Pub Type
Journals
Download Paper
Keywords
chemical purity, uncertainty analysis, observation equation, Bayesian hierarchical model.
Citation
Created September 28, 2016, Updated June 2, 2021