Data quality metrics extracted from 8rk1.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": "17dabc12c3765641630936e29edc74f1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.542,
    "b": 78.316,
    "c": 47.893,
    "alpha": 90.000,
    "beta": 97.365,
    "gamma": 90.000
  },
  "wavelengths": [3.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.095],
    "number_observations_unique": 13758,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.168
      },
      {
        "type": "R(pim)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 4.6
      },
      {
        "type": "Completeness",
        "value": 80.8
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.095],
      "number_observations_unique": 886,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.473
        },
        {
          "type": "R(pim)",
          "value": 0.334
        },
        {
          "type": "Completeness",
          "value": 52.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.716
        }
      ]
    }
  ]

}
  

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


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