Open Source Software for NMR Data Analysis

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rNMR is an open source software package for visualizing and interpreting one and two dimensional NMR data. In contrast to most existing 2D NMR software, rNMR is specifically designed for high-throughput assignment and quantification of small molecules. As a result, rNMR supports extensive batch manipulation of plotting parameters and has numerous tools for expediting repetitive resonance assignment and quantification tasks.

The most powerful features of rNMR are built around the region of interest (ROI) concept. ROIs are user-defined chemical shift ranges that can be used to visualize and analyze hundreds of NMR signals from multiple spectra simultaneously. Unlike peak tables, ROIs are dynamic representations of the underlying NMR data. Users can actively manipulate the chemical shift ranges of ROIs while simultaneously visualizing the impact these changes will have on resonance assignments and quantification of signals.

Open access to rNMR publication:

Ian A. Lewis, Seth C. Schommer, John L. Markley. rNMR: open source software for identifying and quantifying metabolites in NMR spectra, Magn. Reson. Chem. 47, S123-S126 (2009).
News

08/03/2011

rNMR version 1.1.7 has been released. This is a patch release that addresses minor issues. See the rNMR release notes for details.

07/29/2011

rNMR version 1.1.6 has been released. This release includes several UI improvements and bug fixes.

NOTE

R version 2.13.1 contains a bug in the image() function that may prevent certain spectra from being displayed correctly. After a file is opened, the spectrum may be displayed with horizontal or vertical lines running across it, or the spectrum may not be displayed at all.

To avoid this issue, choose a plot type option other than "auto" or "image" (select "Plot settings" from the Graphics menu). This issue is not present in previous versions of R and we expect that it will be resolved with the next R release. Previous versions of R may be downloaded using the links below.

Windows installer

Mac installer

Join the rNMR mailing list for regular updates on rNMR development.
Under Development
  • Bioinformatics tools
  • Statistics module
  • Spectral math and maniupulation features

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Hosted by NMRFAM at UW-Madison. Last updated: August 3, 2011