Data quality metrics extracted from 9auo.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": "305528a83caddd5dc91b7c7d1fd85e17",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 121.869,
    "b": 82.702,
    "c": 64.234,
    "alpha": 90.00,
    "beta": 90.38,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.43,2.42],
    "number_observations_unique": 20317,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 83.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.596,2.42],
      "number_observations_unique": 1016,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.578
        }
      ]
    }
  ]

}
  

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


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