Data quality metrics extracted from 8ii9.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": "7ba1cacce328e2ecafa6fc77745c459e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.848,
    "b": 86.155,
    "c": 102.173,
    "alpha": 77.49,
    "beta": 85.95,
    "gamma": 87.72
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.31,2.17],
    "number_observations_unique": 78953,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.78
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.17],
      "number_observations_unique": 5754,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.61
        }
      ]
    }
  ]

}
  

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


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