Data quality metrics extracted from 6xcj.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": "6e17c9fb29f4572398239aae1944a104",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 138.52,
    "b": 122.10,
    "c": 53.40,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99992],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.9,2.80],
    "number_observations_unique": 23016,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.99
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.80],
      "number_observations_unique": 3659,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.644
        }
      ]
    }
  ]

}
  

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


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