Data quality metrics extracted from 8cqe.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": "a669c9d4b4d93280ca43748c070196b2",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 92.971,
    "b": 92.971,
    "c": 362.047,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [181.02,2.85],
    "number_observations": 984482,
    "number_observations_unique": 38541,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.897
      },
      {
        "type": "R(meas)",
        "value": 0.915
      },
      {
        "type": "R(pim)",
        "value": 0.180
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 25.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  }
}
  

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


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