The compressed folder PROPRE_rawdata contains two subfolders: input-files and output-files These two folders contain the following: input-files\ 1dsl_noH\ 1hyp_noH\ 1igd_noH\ 1knt_noH\ 1koe_noH\ 1noa_noH\ 1qke_noH\ 1sno_noH\ 1une_noH\ 1xwl_noH\ 2exo_noH\ ake_closed_noH\ ake_open_noH\ output-files\ test-1dsl_noH\ test-1hyp_noH\ test-1igd_noH\ test-1knt_noH\ test-1koe_noH\ test-1noa_noH\ test-1qke_noH\ test-1sno_noH\ test-1une_noH\ test-1xwl_noH\ test-2exo_noH\ test-ake_closed_noH\ test-ake_noH\ test-ake_open_noH\ input-files subfolders contains the .gro file of the structure being tested, and possibly the associated .xtc file. Both files are native of the open software GROMACS.\ Each output-file test-XXX subfolder contains, for the striding and clustering cases (where applicable): - Hs-Hk-Nsites-XXX.txt: a list of the values of resolution and relevance for the various numbers of retained atoms numbers - trace_XXX.txt: a list of tested retained site number with associated run times Specific example cases contain also: - data_XXX_noH_TargetSlope-0.00.npz compact output of resolution-relevance curve analysis (maximum) - data_XXX_noH_TargetSlope--1.00.npz compact output of resolution-relevance curve analysis (-1 slope point) the __MACOSX folder can be ignored