Data quality metrics extracted from 6zx8.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": "fb6b7cefb2aad5864de50113e3cf7740",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 21.018,
    "b": 25.804,
    "c": 38.414,
    "alpha": 104.931,
    "beta": 96.588,
    "gamma": 92.107
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37,1.98],
    "number_observations_unique": 8769,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "I/SigI",
        "value": 4.31
      },
      {
        "type": "Completeness",
        "value": 81.4
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,1.98],
      "number_observations_unique": 1215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.479
        },
        {
          "type": "R(meas)",
          "value": 0.677
        },
        {
          "type": "Completeness",
          "value": 69.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.782
        }
      ]
    }
  ]

}
  

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


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