Blind Source Separation for NMR Spectra with Negative Intensity

@article{McCarty2020BlindSS,
  title={Blind Source Separation for NMR Spectra with Negative Intensity},
  author={Ryan J. McCarty and Nimish Ronghe and Mandy Woo and Todd M. Alam},
  journal={ArXiv},
  year={2020},
  volume={abs/2002.03009}
}
  • Ryan J. McCarty, Nimish Ronghe, +1 author Todd M. Alam
  • Published in ArXiv 2020
  • Computer Science, Engineering, Physics
  • NMR spectral datasets, especially in systems with limited samples, can be difficult to interpret if they contain multiple chemical components (phases, polymorphs, molecules, crystals, glasses, etc...) and the possibility of overlapping resonances. In this paper, we benchmark several blind source separation techniques for analysis of NMR spectral datasets containing negative intensity. For benchmarking purposes, we generated a large synthetic datasbase of quadrupolar solid-state NMR-like spectra… CONTINUE READING

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