Data quality metrics extracted from 8dqr.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": "ca5a015f5a88e29cb1f18348a17d156a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.514,
    "b": 88.886,
    "c": 96.901,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.5,2.26],
    "number_observations_unique": 23643,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.69
      },
      {
        "type": "Completeness",
        "value": 97.02
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.341,2.26],
      "number_observations_unique": 2179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7622
        },
        {
          "type": "R(pim)",
          "value": 0.7622
        },
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "Completeness",
          "value": 90.69
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.425
        }
      ]
    }
  ]

}
  

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


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