Rowland NMR Toolkit Version 3

The Rowland NMR Toolkit is a suite of programs for processing multi-dimensional NMR data. In addition to providing support for conventional, DFT-based spectrum analysis, a set of ancillary tools provide support for modern methods of spectrum analysis, including linear prediction and maximum entropy reconstruction. The Toolkit runs on Unix workstations, and the graphical tools use X-Windows and PostScript. The Toolkit is capable of processing NMR data from most sources.

The Rowland NMR Toolkit is made freely available to academic and not-for-profit institutions, although we do ask that you complete a software license agreement, so that we know who is using the software. Because we provide the source code, the software agreement also serves as a pledge that the software will not be used for commercial purposes or distributed to others. A PDF version of the license agreement can be found here. Contact Jeff Hoch (see below) for further information, including information about commercial licenses.

• A list of general features of the Toolkit
• General processing tools
  • rnmrtk -- The main processing program in the Toolkit
• Graphical tools
  • seepln -- A tool for graphical display of one-dimensional data
  • contour -- A tool for graphical display of two-dimensional data
  • Vince -- A tool for graphical display of biomolecular NOE data
• Modern spectrum analysis tools
  • blip -- Backward linear prediction
  • count -- Create a sequential sampling schedule
  • flip -- Forward linear prediction
  • inject -- Add synthetic peaks to a time-domain data set
  • ist -- Iterative soft threshholding
  • mlm -- Maximum likelihood reconstruction
  • msa -- Maximum entropy reconstruction
  • sampsched -- Create an exponential or random sampling schedule
• Analysis tools
  • inject2d -- Add synthetic cross peaks to time domain data
  • splineshift -- Accurately determine frequency differences in one dimension
  • xpeakfit -- Fit a model function to cross-peaks in two-dimensional spectra
• Other tools
  • adump -- Create an ASCII dump of one-dimensional data
  • hpsort -- Sorts the vectors in an HPGL file to achieve more efficient plotting
  • pspreview -- Convert a PostScript file to Encapsulated PostScript
  • select -- Compress a non-linearly sampled data set
  • undiag -- Remove strong diagonal components by subtracting a time-domain model
• Step-by-step instructions for first-time users
  • Preliminaries -- How to invoke Rnmrtk
  • How to load NMR data
  • Processing examples
  • Plotting examples

For more information, comments, or complaints, contact the authors: