{
  "analysis_id": "phase6c-1.0.0",
  "builder_sha256": "6da2f733b6b7d052ca3d4b217a009363ab77ec17c0d82da27666f53e3a249241",
  "counts": {
    "additional_assay_observations": 0,
    "analyzed_or_identified_unobserved_chain_domains": 22,
    "assessed_chain_domains_missing_backbone_atoms": 0,
    "assessed_chain_domains_missing_sidechain_atoms": 8,
    "assessed_chain_domains_with_unobserved_core": 13,
    "assessed_chain_domains_with_unobserved_residues": 14,
    "chain_domains_with_observed_core": 9,
    "coordinate_unavailable_chain_domains": 644,
    "core_contact_records_at_5A": 48,
    "direct_source_supported_research_ligand_environments": 4,
    "distinct_source_ligand_instances": 4,
    "experimentally_reparsed_pdb": 3,
    "ligand_residue_contact_records_at_6A": 81,
    "original_inventory_rows": 666,
    "receptor_preparations_generated": 0,
    "source_reported_validation_metrics_independently_inspected": 0,
    "unique_inventory_domains": 28,
    "unique_inventory_pdb": 230
  },
  "date": "2026-10-27",
  "frozen_sources": {
    "analysis/phase5_pockets/inventory.json": "3667209668ae8116dea63ff7e532f3337cca006adf1d2960e28de242c6043f3b",
    "analysis/phase5_pockets/quality.json": "d56cfd460e0fb5770fb1891ba5e174b181fb4aee547dc3c80c74436d25f87932",
    "analysis/verification/11OA_residue_atom_evidence.json": "9c97d56e3dbf6301131ee922a964c8807690caf1fed4c30ed057684240530373",
    "data/original_coordinates/11OA.cif": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
    "data/original_coordinates/6G2O.cif": "74d2d63c67c68d75cd98a65a67771b43791e1d61b52c6fd985805899f9c8ecfa",
    "data/original_coordinates/6XCG.cif": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
    "data/phase6a/phase6a_evidence_1.0.0.sqlite": "5b1a29fc293196c59d84f7774b5843669b694baa425ec12ae4826661da3865c6",
    "data/phase6b/phase6b_evidence_1.0.0.sqlite": "2570a88c27eec1450c94d81da3adf82d0defc32be2b6d0fdc0c453ea5c8c95e2",
    "data/pwwp_atlas_public_v1.2.sqlite": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6"
  },
  "outputs": {
    "11OA_residue_case_study.json": {
      "bytes": 10970,
      "sha256": "bc36869dca80437cc0106177e21c8f81175cffe65650915607354cdc4ddaaafe"
    },
    "contact_residues.json": {
      "bytes": 61021,
      "sha256": "0b85466880e12780f5629eaaf9deb269bf004602de52e36b72425b1b7ec8e6bc"
    },
    "independent_gemmi_reconciliation.json": {
      "bytes": 278,
      "sha256": "3b438eabe45a402f14351c9caf49c693864942399d64e000012add589b0b7056"
    },
    "inventory.csv": {
      "bytes": 616621,
      "sha256": "1ff822210d26ee383203a37bc292764e019107da4dc8ab822fcbbfdec6442c5e"
    },
    "ligand_contact_residues.csv": {
      "bytes": 12352,
      "sha256": "80b7972ac5c9d800653e56ce8e87866253699bbe436aae9463695751c81567e1"
    },
    "ligand_environments.csv": {
      "bytes": 2342,
      "sha256": "c5cbd5061e3c3c425437c51642c071129879b4642f379530b4ff60d884bf0475"
    },
    "ligand_environments.json": {
      "bytes": 5005,
      "sha256": "1e0d3e28cedc09c593fa693e49cf7e1909f8b1cd7fcd02b5228f2a139c02fff5"
    },
    "phase6c_structure_quality_1.0.0.sqlite": {
      "bytes": 2842624,
      "sha256": "b36c4cd1e66bb1e080ded19fcf5f1d5b302fec1a97089e6977594054ac8ec1ad"
    },
    "receptor_assessments.csv": {
      "bytes": 133833,
      "sha256": "54fe8d2b90e59e4cd4e6f8c5ef5748f21ef96d444cf24159c6e705c2b574dfec"
    },
    "residue_completeness.csv": {
      "bytes": 143406,
      "sha256": "3bb136c7b4b7500c375dff47edafe0d14c170574c5428b66ba20734b154bb613"
    },
    "source_coordinate_coverage.csv": {
      "bytes": 790,
      "sha256": "4b97fbe0ac72c8d6770a3a80ad65d275704970ac1a37c72a500397ebf5140806"
    },
    "source_coordinate_receipts.json": {
      "bytes": 1687,
      "sha256": "67dcab5542019fdff345db096a38dd4991d4694dd0851a2518737243cb1a6603"
    },
    "summary.json": {
      "bytes": 14589,
      "sha256": "3531cce3eee06031b801903c323e10830a5b57d76e61725eae3c5388aace1142"
    }
  },
  "parameters": {
    "asymmetric_unit_only": true,
    "atom_completeness_use_union_of_occupied_alt_locations": true,
    "contact_cutoff_angstrom": 5.0,
    "contact_sensitivity_angstrom": [
      3.5,
      4.0,
      5.0,
      6.0
    ],
    "crystallographic_symmetry_expand": false,
    "exclude_hydrogens_deuteriums": true,
    "first_model_only": true,
    "occupancy_strictly_greater_than_zero": true,
    "standard_sidechain_reference": "embedded _chem_comp_atom of each original mmCIF",
    "terminal_oxygens_in_backbone_template": false
  },
  "software": {
    "gemmi": "0.7.4",
    "numpy": "2.3.5"
  }
}