IQMNMR: Time-domain NMR data for automated identification and quantification of metabolites

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IQMNMR provides a solution that can automatically identify and quantify metabolites by one-dimensional proton NMR spectroscopy. Its time-domain nature, stability against phase shifts and baseline distortions, requirement for only one NMR spectrum, and capability to output a batch of quantified metabolites are of considerable significance to metabolic modeling and simulation.IQMNMR is available at http://cran.r-project.org/web/packages/IQMNMR/.

via IQMNMR: Open source software using time-domain NMR data for automated identification and quantification of metabolites in batches.

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