Data quality metrics extracted from 9d8b.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": "bc25f828b649fb9c2a23eb370e54e23f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.046,
    "b": 59.024,
    "c": 89.481,
    "alpha": 94.39,
    "beta": 92.98,
    "gamma": 113.21
  },
  "wavelengths": [0.97936],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.645,1.818],
    "number_observations_unique": 85262,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.849,1.818],
      "number_observations_unique": 4302,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    }
  ]

}
  

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


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