Data quality metrics extracted from 2oik.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": "b535fc50bbd12232b9d498973ec2de7a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.243,
    "b": 47.981,
    "c": 69.766,
    "alpha": 108.13,
    "beta": 98.22,
    "gamma": 90.34
  },
  "wavelengths": [0.97913],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.549,1.650],
    "number_observations_unique": 62091,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.118
      },
      {
        "type": "I/SigI",
        "value": 7.3600
      },
      {
        "type": "Completeness",
        "value": 93.5
      },
      {
        "type": "Redundancy",
        "value": 3.94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.828
        },
        {
          "type": "I/SigI",
          "value": 1.520
        },
        {
          "type": "Completeness",
          "value": 70.5
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    }
  ]

}
  

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


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