Data quality metrics extracted from 9d8d.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": "3eff60172d68f5a24a7b3871ecd51c2b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.977,
    "b": 59.666,
    "c": 89.432,
    "alpha": 93.59,
    "beta": 92.61,
    "gamma": 113.77
  },
  "wavelengths": [0.97936],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.99,2.11],
    "number_observations_unique": 57054,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.11],
      "number_observations_unique": 5091,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    }
  ]

}
  

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


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