Data quality metrics extracted from 8bll.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": "5fa2b8034a24572d40d807d08b056dcd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.456,
    "b": 108.609,
    "c": 124.341,
    "alpha": 85.66,
    "beta": 83.22,
    "gamma": 74.34
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47,1.54],
    "number_observations_unique": 472783,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.20
      },
      {
        "type": "Completeness",
        "value": 87.81
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.54],
      "number_observations_unique": 47452,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.39
        }
      ]
    }
  ]

}
  

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


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