metabodecon
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Metabodecon
Description
A framework for deconvolution, alignment and postprocessing of 1-dimensional (1d) nuclear magnetic resonance (NMR) spectra, resulting in a data matrix of aligned signal integrals. The deconvolution part uses the algorithm described in Koh et al. (2009) <doi:10.1016/j.jmr.2009.09.003>. The alignment part is based on functions from the 'speaq' package, described in Beirnaert et al. (2018) <doi:10.1371/journal.pcbi.1006018> and Vu et al. (2011) <doi:10.1186/1471-2105-12-405>. A detailed description and evaluation of an early version of the package, 'MetaboDecon1D v0.2.2', can be found in Haeckl et al. (2021) <doi:10.3390/metabo11070452>.
- An approach to automated frequency-domain feature extraction in nuclear magnetic resonance spectroscopy
- An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data
- An R-Package for the Deconvolution and Integration of 1D NMR Data: MetaboDecon1D
- speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification
This page was built for software: metabodecon
