Data quality metrics extracted from 8ed4.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": "9cfcffc7c9ff320d3ec786c88cfa87f3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 129.40,
    "b": 126.56,
    "c": 148.02,
    "alpha": 90.00,
    "beta": 107.81,
    "gamma": 90.00
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.23,2.25],
    "number_observations_unique": 214836,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.29,2.25],
      "number_observations_unique": 10599,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    }
  ]

}
  

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


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