Data quality metrics extracted from 22ey.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "2e4fc9014889d21264fe2faed1ad74cd",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.615,
    "b": 86.266,
    "c": 182.093,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91908],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.05,2.557],
    "number_observations_unique": 43384,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.600
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.557],
      "number_observations_unique": 6222,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.366
        }
      ]
    }
  ]

}
  

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


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