Data quality metrics extracted from 9uoz.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": "19cbed66b084590ec3af2d7785bdd6c3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.773,
    "b": 66.112,
    "c": 92.600,
    "alpha": 90.000,
    "beta": 103.432,
    "gamma": 90.000
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.999],
    "number_observations_unique": 57418,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 29.371
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 5.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.999],
      "number_observations_unique": 4125,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.822
        }
      ]
    }
  ]

}
  

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


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