Bias and Uncertainty in Non-Ideal qNMR Analysis

We report a comprehensive analysis of the acquisition-related sources of uncertainty for internally and externally standardized qNMR experiments. The impacts of major instrument- and sample-related sources of biases and uncertainties are quantified where possible, and the validity of correction and...

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Bibliographic Details
Published in:Critical reviews in analytical chemistry 2015-10, Vol.45 (4), p.300-310
Main Authors: Le Gresley, Adam, Fardus, Fahmina, Warren, John
Format: Article
Language:English
Subjects:
Analytical chemistry
Bias
Budgets
Calibration
certified reference material
Complexity
Experiments
instrument uncertainty
Magnetic Resonance Spectroscopy - methods
Magnetic Resonance Spectroscopy - standards
Mathematical models
NMR
Nuclear magnetic resonance
qNMR
Reference Standards
SI traceability
Standardization
Uncertainty
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Description
Summary:We report a comprehensive analysis of the acquisition-related sources of uncertainty for internally and externally standardized qNMR experiments. The impacts of major instrument- and sample-related sources of biases and uncertainties are quantified where possible, and the validity of correction and calibration techniques are also discussed. The application of uncertainty budgets for qNMR is well established for simple, internally standardized systems, but the model is incomplete and does not allow for the additional biases and sources of uncertainty that arise from spectrum complexity and external standardization. This report considers the additional contributions to the uncertainty budget that need to be considered to ensure SI traceability of measurement across a wider range of analytes and NMR methodologies.
ISSN:1040-8347
1547-6510
DOI:10.1080/10408347.2014.944971