{ "source": "MD.hdf5 raw arrays, EXHAUSTIVE over all 16972 complexes", "n_complexes": 16972, "bsasa_negative": { "frames": 4713, "frames_total": 1697200, "complexes": 601, "pct_frames": 0.2777, "pct_complexes": 3.54 }, "rmsd_ligand_gt_10A": { "frames": 45941, "frames_total": 1697500, "complexes": 1018, "pct_complexes": 6.0 }, "note": "read from the RAW arrays, so 6CC9's 400-value rmsd_ligand/distance are included; the shipped subsamples store NaN for those two fields on that complex" }