Data quality metrics extracted from 6aaz.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": "d11cd001e4dfb9431c8b48b732b37648",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 101.378,
    "b": 44.107,
    "c": 72.673,
    "alpha": 90.00,
    "beta": 118.63,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.84],
    "number_observations_unique": 24060,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.213
      },
      {
        "type": "R(pim)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.84],
      "number_observations_unique": 1161,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.314
        }
      ]
    }
  ]

}
  

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


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