Data quality metrics extracted from 9qav.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "6c561ab57225ee2fbe311f387a91cbcd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.281,
    "b": 77.586,
    "c": 80.996,
    "alpha": 88.714,
    "beta": 64.857,
    "gamma": 75.072
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.60,2.30],
    "number_observations_unique": 67085,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.30],
      "number_observations_unique": 4510,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.784
        },
        {
          "type": "CC(1/2)",
          "value": 0.412
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):