Data quality metrics extracted from 6uay.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": "f672577e90f82ee7f074d4df70b93e44",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.47,
    "b": 48.72,
    "c": 57.11,
    "alpha": 102.61,
    "beta": 89.78,
    "gamma": 93.89
  },
  "wavelengths": [1.45881],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.43,1.80],
    "number_observations_unique": 34823,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.25
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 4.48
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 2487,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    }
  ]

}
  

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


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