Data quality metrics extracted from 6q8j.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": "b66bf680384b2863933054415f6bf10a",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 72.193,
    "b": 72.193,
    "c": 183.164,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44,1.8],
    "number_observations_unique": 26383,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 16.86
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 5.27
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.8],
      "number_observations_unique": 3140,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.762
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 5.32
        }
      ]
    }
  ]

}
  

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


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