pJRES Binning Algorithm (JBA): a new method to facilitate the recovery of metabolic information from pJRES H-1 NMR spectra

摘要

Motivation: Data processing is a key bottleneck for H-1 NMR-based metabolic profiling of complex biological mixtures, such as biofluids. These spectra typically contain several thousands of signals, corresponding to possibly few hundreds of metabolites. A number of binning-based methods have been proposed to reduce the dimensionality of 1D H-1 NMR datasets, including statistical recoupling of variables (SRV). Here, we introduce a new binning method, named JBA ("pJRES Binning Algorithm"), which aims to extend the applicability of SRV to pJRES spectra.