Data quality metrics extracted from 6xuc.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": "1bc6be6158886fef1976134d5d0096ce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.021,
    "b": 123.157,
    "c": 77.893,
    "alpha": 90.00,
    "beta": 98.49,
    "gamma": 90.00
  },
  "wavelengths": [1.07230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.1297,1.6030],
    "number_observations_unique": 139066,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.21
      },
      {
        "type": "Completeness",
        "value": 93.60
      },
      {
        "type": "Redundancy",
        "value": 3.19
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.661,1.603],
      "number_observations_unique": 8944,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.134
        }
      ]
    }
  ]

}
  

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


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