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pyDIFRATE is an implementation of the 'detectors' method of analyze dynamics data, with the current implementation covering the analysis of nuclear magnetic resonance (NMR) relaxation and molecular dynamics (MD) simulation. DIFRATE stands for "DIstortion Free Relaxation Analysis TEchnique".

Relevant Publications

The key idea of detector analysis is that NMR relaxation rate constants and MD-derived correlation functions can be constructed as a sum of contributions from motion as a function of correlation time. Then every experiment (or every time point in a correlation function) has a well-defined sensitivity as a function of correlation time.