Data quality metrics extracted from 8r8b.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": "c572c0c38343b85ced5789562425b3e2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 160.457,
    "b": 160.656,
    "c": 160.619,
    "alpha": 107.268,
    "beta": 107.157,
    "gamma": 107.241
  },
  "wavelengths": [0.97933],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [139.2,1.808],
    "number_observations_unique": 1088963,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.53
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.92,1.81],
      "number_observations_unique": 178778,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.31
        }
      ]
    }
  ]

}
  

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


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