Data quality metrics extracted from 9ffe.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": "e63ac72a56ae9b51329b9e7d68c7c046",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.045,
    "b": 50.500,
    "c": 53.092,
    "alpha": 88.10,
    "beta": 68.13,
    "gamma": 74.28
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.42,2.12],
    "number_observations_unique": 22006,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.12],
      "number_observations_unique": 1603,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.499
        }
      ]
    }
  ]

}
  

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


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