Bayesian approach for automated quantitative analysis of benchtop NMR data

Journal of Magnetic Resonance(2020)

引用 16|浏览9
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摘要
•Quantification using benchtop NMR is challenging due to the low spectral resolution.•Our method leads to turnkey solutions to automate processing of routine NMR data.•Spectra are condensed into idealized models using machine learning algorithms.•Development of the model is guided by prior experience with similar samples.•Quantification accuracy with benchtop NMR approaches that of cryogenic spectrometers.
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关键词
Quantitative NMR spectroscopy,Medium-field NMR,Benchtop instruments,Mixture analysis
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