Data quality metrics extracted from 21ee.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "a0fbb17a97c71f7e2dc4c81dfb3fd43b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.974,
    "b": 42.410,
    "c": 47.417,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.56,1.34],
    "number_observations_unique": 34026,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.36,1.34],
      "number_observations_unique": 868,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.518
        }
      ]
    }
  ]

}
  

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


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