DIFRATE

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

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow DIFRATE

DIFRATE Web Site

Other Useful Business Software

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Rate This Project