Metabodeconplus—An R Package for Automated Deconvolution and Alignment of 1D NMR Metabolomics Data
Background: In one-dimensional NMR spectra of complex biofluids such as urine and plasma, extensive signal overlap obscures individual metabolite signals. Resolving this overlap by deconvolution is only the first step: turning a set of spectra into a table for subsequent statistical analysis also requires the alignment...