Data quality metrics extracted from 6qac.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": "2088f11d703b8678e5a9aed11e24051c",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 154.113,
    "b": 154.113,
    "c": 127.619,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [108.974,2.771],
    "number_observations_unique": 19813,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1074
      },
      {
        "type": "R(meas)",
        "value": 0.115
      },
      {
        "type": "R(pim)",
        "value": 0.04048
      },
      {
        "type": "I/SigI",
        "value": 16.22
      },
      {
        "type": "Completeness",
        "value": 99.82
      },
      {
        "type": "Redundancy",
        "value": 7.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  }
}
  

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


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