Data quality metrics extracted from 9s85.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "16570fa26a7fd78b35196b294c594b8a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 65.055,
    "b": 91.127,
    "c": 160.101,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.27,1.80],
    "number_observations_unique": 1210143,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 13.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.80],
      "number_observations_unique": 61485,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.446
        }
      ]
    }
  ]

}
  

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


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