Magnetic Resonance
Magnetic Resonance
MR
Articles | Volume 4, issue 1
Articles | Volume 4, issue 1
https://doi.org/10.5194/mr-4-19-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-4-19-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 4, issue 1
Research article
 | 
08 Feb 2023
Research article |  | 08 Feb 2023

DEEP Picker1D and Voigt Fitter1D: a versatile tool set for the automated quantitative spectral deconvolution of complex 1D-NMR spectra

Da-Wei Li, Lei Bruschweiler-Li, Alexandar L. Hansen, and Rafael Brüschweiler

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Latest update: 01 Apr 2025
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Short summary
Recent advances in machine learning have opened new opportunities toward the automated analysis and spectral reconstruction of highly complex NMR spectra, including ones encountered in metabolomics. We demonstrate the combined power of the deep neural network DEEP Picker 1D and the Voigt Fitter1D software for the quantitative streamlined analysis of 1D 1H NMR spectra, extending the reach of a wide range of NMR applications.
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