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Newton is a multi-platform, Java-based framework for spectral analysis of multidimensional
NMR data. Newton implements
fast maximum likelihood reconstruction (FMLR), a form of
spectral deconvolution that constructs the simplest time-domain model whose fourier processed
spectrum most closely matches the spectrum of the identically processed FID.
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FMLR as implemented by Newton is currently being applied to numerous areas of NMR spectral analysis:
| Area | Application | Goal |
|---|---|---|
| General NMR | Spectral analysis | Quantitative analysis of n-dimensional NMR spectra data sets including related data sets by spectral deconvolution. |
| Metabolomics | Complex mixture analysis | Identification and quantification of metabolites present in biological fluids and extracts from 1D and 2D NMR spectra. |
| Biofuels Research | Plant cell wall profiling | Fingerprinting of polysaccharide and lignin components in unfractionated cell wall material, including derivation of lignin S/G/H lignin ratios |