Data quality metrics extracted from 8rdz.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": "4aef153994b7fd71277f3e69ddf61735",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.710,
    "b": 59.200,
    "c": 79.431,
    "alpha": 80.652,
    "beta": 82.958,
    "gamma": 77.028
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.56,2.02],
    "number_observations_unique": 53078,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05739
      },
      {
        "type": "R(meas)",
        "value": 0.07063
      },
      {
        "type": "R(pim)",
        "value": 0.04047
      },
      {
        "type": "I/SigI",
        "value": 7.35
      },
      {
        "type": "Completeness",
        "value": 96.87
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.092,2.02],
      "number_observations_unique": 5256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8753
        },
        {
          "type": "CC(1/2)",
          "value": 0.243
        }
      ]
    }
  ]

}
  

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


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