Data quality metrics extracted from 3ijz.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": "330db2e374930ea038ab22d85610e575",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 77.656,
    "b": 77.656,
    "c": 224.969,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.95,2.21],
    "number_observations_unique": 20713,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 29.6
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 16.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.21],
      "number_observations_unique": 2825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 7.1
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 16.4
        }
      ]
    }
  ]

}
  

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


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