Data quality metrics extracted from 4oik.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": "f6c2c26371b818bb8dc1e9b549ca16f6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.41,
    "b": 51.68,
    "c": 51.33,
    "alpha": 111.23,
    "beta": 106.33,
    "gamma": 108.68
  },
  "wavelengths": [0.97921],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.10],
    "number_observations_unique": 16903,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.164
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 75.3
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 313,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 13.9
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    }
  ]

}
  

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


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