Data quality metrics extracted from 8aqf.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": "780936b15b0240f7141adb274a53845f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 91.625,
    "b": 127.568,
    "c": 60.358,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00009],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.81,1.55],
    "number_observations_unique": 51415,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0631
      },
      {
        "type": "I/SigI",
        "value": 11.69
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 6.62
      },
      {
        "type": "CC(1/2)",
        "value": 0.9985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.55],
      "number_observations_unique": 8639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7885
        },
        {
          "type": "CC(1/2)",
          "value": 0.5966
        }
      ]
    }
  ]

}
  

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


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