Data quality metrics extracted from 9jzo.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": "5431ce91394cbc1b5a74ed32f50953f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.63,
    "b": 43.10,
    "c": 54.20,
    "alpha": 112.97,
    "beta": 90.11,
    "gamma": 118.18
  },
  "wavelengths": [0.97942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.06,1.40],
    "number_observations_unique": 50347,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.51
      },
      {
        "type": "Completeness",
        "value": 85.90
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "number_observations_unique": 5085,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    }
  ]

}
  

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


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