Research data supporting: "Data-driven assessment of optimal spatiotemporal resolutions for information extraction in noisy timeseries data"

The folder contains the dataset and the codes necessary to perform Optimal resolution analyses. Each system dataset (gro/xtc/xyz) is intended to be analyzed by 'compute RDF' function which provide the list of cut offs to be use. Those distances need to be used to compute the different descriptors (LENS/SOAP/PHI). Onion clusterting can be then be performed on descriptor's timeseries and the different distances ranked with the comparison function.