Data quality metrics extracted from 9bf0.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": "b39da7e376d8e917d800ee93df28c5c4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.106,
    "b": 46.511,
    "c": 65.240,
    "alpha": 87.78,
    "beta": 74.53,
    "gamma": 85.41
  },
  "wavelengths": [1.34180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.53,1.78],
    "number_observations_unique": 86315,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.72
      },
      {
        "type": "Completeness",
        "value": 98.88
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.844,1.78],
      "number_observations_unique": 8459,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.273
        }
      ]
    }
  ]

}
  

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


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