Data quality metrics extracted from 6gau.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": "6b51a0ab25f39399800cce05f2752e87",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 91.523,
    "b": 96.782,
    "c": 105.791,
    "alpha": 75.64,
    "beta": 64.44,
    "gamma": 65.80
  },
  "wavelengths": [0.95000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.350,3.300],
    "number_observations_unique": 44305,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.236
      },
      {
        "type": "I/SigI",
        "value": 7.000
      },
      {
        "type": "Completeness",
        "value": 98.200
      },
      {
        "type": "Redundancy",
        "value": 3.990
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  }
}
  

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


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