Data quality metrics extracted from 6u8k.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": "32df36d7ee1512f4ae2d93d56055c038",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 173.289,
    "b": 173.289,
    "c": 140.490,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [173.289,2.75],
    "number_observations_unique": 106558,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1475
      },
      {
        "type": "R(meas)",
        "value": 0.165
      },
      {
        "type": "R(pim)",
        "value": 0.07262
      },
      {
        "type": "I/SigI",
        "value": 9.31
      },
      {
        "type": "Completeness",
        "value": 98.54
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.965
      }
    ]
  }
}
  

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


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