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

Zenflow- The AI Workflow Engine for Software Devs

Parallel agents. Multi-agent orchestration. Specs that turn into shipped code. Zenflow automates planning, coding, testing, and verification.

Zenflow is the AI workflow engine built for real teams. Parallel agents plan, code, test, and verify in one workflow. With spec-driven development and deep context, Zenflow turns requirements into production-ready output so teams ship faster and stay in flow.

Try free now

Rate This Project

User Reviews

Be the first to post a review of DIFRATE!

Additional Project Details

Registered

2017-08-09

Report inappropriate content