Magnetic Resonance
Magnetic Resonance
MR
Articles | Volume 1, issue 2
Articles | Volume 1, issue 2
https://doi.org/10.5194/mr-1-141-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-1-141-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 1, issue 2
Research article
 | 
02 Jul 2020
Research article |  | 02 Jul 2020

Improving the accuracy of model-based quantitative nuclear magnetic resonance

Yevgen Matviychuk, Ellen Steimers, Erik von Harbou, and Daniel J. Holland

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Cited articles

Alsmeyer, F., Koß, H.-J., and Marquardt, W.: Indirect Spectral Hard Modeling for the Analysis of Reactive and Interacting Mixtures, Appl. Spectrosc., 58, 975–985, https://doi.org/10.1366/0003702041655368, 2004. a, b
Anjum, M. A., Dmochowski, P. A., and Teal, P. D.: A subband Steiglitz-McBride algorithm for automatic analysis of FID data, Magn. Reson. Chem., 56, 740–747, https://doi.org/10.1002/mrc.4723, 2018. a
Arias-Castro, E. and Donoho, D. L.: Does median filtering truly preserve edges better than linear filtering?, Ann. Stat., 37, 1172–1206, https://doi.org/10.1214/08-AOS604, 2009. a
Bretthorst, G.: Bayesian analysis. I. Parameter estimation using quadrature NMR models, J. Magn. Reson., 88, 533–551, https://doi.org/10.1016/0022-2364(90)90287-J, 1990. a, b
Bruce, S. D., Higinbotham, J., Marshall, I., and Beswick, P. H.: An Analytical Derivation of a Popular Approximation of the Voigt Function for Quantification of NMR Spectra, J. Magn. Reson., 142, 57–63, https://doi.org/10.1006/jmre.1999.1911, 2000. a
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Short summary
Quantitative analysis of mixtures is a challenge in applications ranging from foods to industrial chemistry. Nuclear magnetic resonance (NMR) is increasingly used for analysis; however, overlapping peaks in the spectrum pose a major difficulty, especially for the new generation of benchtop NMR instruments. We propose a fast and simple model-based approach to enhance the accuracy of quantification. We demonstrate it on industrially relevant test samples where the accuracy is increased by 40 %.
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