Data quality metrics extracted from 8ce6.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": "073f31d9c6e4bd3da2d6a1568c04beb8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.482,
    "b": 50.906,
    "c": 101.399,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.700,1.575],
    "number_observations_unique": 26352,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.5
      },
      {
        "type": "Completeness",
        "value": 91.5
      },
      {
        "type": "Redundancy",
        "value": 11.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.696,1.575],
      "number_observations_unique": 1133,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.711
        }
      ]
    }
  ]

}
  

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


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