Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm

Abstract

Model-free analysis of NMR relaxation data, which describes the motion of individual atoms, is a problem intricately linked to the Brownian rotational diffusion of the macromolecule. The diffusion tensor parameters strongly influence the optimisation of the various model-free models and the subsequent model selection between them. Finding the optimal model of the dynamics of the system among the numerous diffusion and model-free models is hence quite complex. Using set theory, the entirety of this global problem has been encapsulated by the universal set, and its resolution mathematically formulated as the universal solution. Ever since the original Lipari and Szabo papers the model-free dyn..