Data quality metrics extracted from 8rdd.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": "3a7bc909b28d4449b345b2560e000480",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 80.371,
    "b": 80.371,
    "c": 94.134,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.2,1.8],
    "number_observations_unique": 31899,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.0015
      },
      {
        "type": "I/SigI",
        "value": 25.7
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 20.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.853,1.8],
      "number_observations_unique": 1598,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.58
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    }
  ]

}
  

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


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