Data quality metrics extracted from 6uaz.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": "de4dabbacc805475057a5fec96b529ff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.460,
    "b": 48.928,
    "c": 57.757,
    "alpha": 102.97,
    "beta": 89.34,
    "gamma": 93.76
  },
  "wavelengths": [1.45854],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.2,1.85],
    "number_observations_unique": 31291,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.51
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.42
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.85],
      "number_observations_unique": 4890,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.717
        }
      ]
    }
  ]

}
  

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


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