Cleaning up NMR spectra with reference deconvolution for improving multivariate analysis of complex mixture spectra
NMR spectroscopy provides valuable data for metabolomics, but the information sought can be partly obscured by errors from hardware imperfection, causing frequency, phase, and spectral lineshape to change significantly between measurements. Clearly, this is a highly undesirable source of variation in multivariate quantitative studies such as metabolomics. Fortunately, many hardware imperfections
