The DIFRATE software is used for analysis of NMR relaxation data for dynamics characterization. The code is based on the dynamics theory presented in:

Albert A. Smith, Matthias Ernst*, Beat Meier*. "Optimized 'detectors' for dynamics analysis in solid-state NMR." J. Chem. Phys, 148, 045104 (2018).
DOI: https://doi.org/10.1063/1.5013316

Updates in version 2 allow separation of tumbling in solution and internal motion, include more experiment types, and simplify detector design with singular value decomposition:

Albert A. Smith, Matthias Ernst, Beat H. Meier, Fabien Ferrage. "Reducing bias in the analysis of solution-state NMR data with dynamics detectors." (2018) Currently available: http://doi.org/10.1002/anie.201901929

Contact: alsi-nmr@users.sourceforge.net
Please contact me if you have any questions.

Also check out INFOS for data extraction from NMR spectra (infos.sourceforge.net).

Features

  • Bias-free dynamics analysis via NMR relaxation
  • Plot relaxation rate constant 'spaces'
  • Interactive or automatic 'detector' design
  • Fit relaxation rates to detection vectors

Project Samples

Reduced-space for a dynamics data set DIFRATE sensitivities window

Project Activity

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License

GNU General Public License version 3.0 (GPLv3)

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Registered

2017-08-09
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