Data quality metrics extracted from 8eed.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": "fa3ba1442363029fc44b1306c6cdfb6e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.03,
    "b": 105.63,
    "c": 132.38,
    "alpha": 82.52,
    "beta": 70.48,
    "gamma": 81.04
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,3.2],
    "number_observations_unique": 70659,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.2
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.2],
      "number_observations_unique": 5711,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.322
        }
      ]
    }
  ]

}
  

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


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