Data quality metrics extracted from 8okj.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": "7c72a99bd7322244a2decc9353a2e00d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.667,
    "b": 41.046,
    "c": 71.546,
    "alpha": 90.00,
    "beta": 103.73,
    "gamma": 90.00
  },
  "wavelengths": [1.45187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.52,1.40],
    "number_observations": 193387,
    "number_observations_unique": 46311,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 13.5
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations": 6703,
      "number_observations_unique": 2249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "R(meas)",
          "value": 0.481
        },
        {
          "type": "R(pim)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.786
        }
      ]
    }
  ]

}
  

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


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