Data quality metrics extracted from 9d8n.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": "f61b56df041cf3f947acf29bdd1036dc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.100,
    "b": 35.997,
    "c": 64.013,
    "alpha": 86.11,
    "beta": 86.50,
    "gamma": 65.10
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.51,1.301],
    "number_observations_unique": 58664,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.9
      },
      {
        "type": "Completeness",
        "value": 95.22
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.8790
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.347,1.301],
      "number_observations_unique": 5741,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8960
        }
      ]
    }
  ]

}
  

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


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