Data quality metrics extracted from 8fw3.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": "dc684beb7cee78ae6063a49ac5196fd4",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 58.913,
    "b": 84.868,
    "c": 212.515,
    "alpha": 90.000,
    "beta": 92.251,
    "gamma": 90.000
  },
  "wavelengths": [0.97864],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.37,2.22],
    "number_observations_unique": 51794,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.29,2.22],
      "number_observations_unique": 4520,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.850
        }
      ]
    }
  ]

}
  

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


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