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COD
File size: 2,124 Bytes
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{
  "C6_duplicate_of_join_coverage": {
    "n_non_null": 5389,
    "n_target_present_in_file": 5388,
    "rate": 0.9998144368157358
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  "cod_id_max": 9017926,
  "cod_id_min": 1000000,
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  "formula_matches_counts": {
    "match": 479927,
    "mismatch": 50359,
    "not_checkable_255": 582
  },
  "n_atom_rows_frac_outside_unit_cell": 69,
  "n_atom_rows_occupancy_outside_0_1": 87640,
  "n_deuterium_atom_rows": 102550,
  "n_elements": 97,
  "n_entries_with_deuterium": 1480,
  "n_ordered": 358646,
  "n_with_duplicate_of": 5389,
  "nan_rates": {
    "density": 0.0813705101833224,
    "r_factor": 0.1429244181227725,
    "temperature_K": 0.1293183993007678
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  "natoms_max": 35904,
  "natoms_mean": 303.4490909227906,
  "natoms_min": 1,
  "num_structures": 530868,
  "occupancy_gt1_rows": 87640,
  "occupancy_gt2_rows": 23687,
  "occupancy_le0_rows": 0,
  "occupancy_max": 130.0,
  "occupancy_min": 9.99999993922529e-09,
  "out": "/home/gridsan/tperez/workspace/StructureCloud/tmp/cod/hubroot/StructureCloud__COD/preprocessed/all.pt",
  "size_bytes": 3145707470,
  "size_gib": 2.929668379947543,
  "spacegroup_number_absent": 2110,
  "string_nonempty": {
    "doi": 483600,
    "formula_sum": 530387,
    "mineral_name": 16030,
    "spacegroup_hm": 530735
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  "sum_atoms_species_rows": 161091412,
  "z_max": 112,
  "z_min": 1
}