Data quality metrics extracted from 8k5n.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": "3f78ac22e5b9fe31ffe8d871eaf6ee12",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 49.25,
    "b": 49.25,
    "c": 278.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.62,2.2],
    "number_observations_unique": 18409,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1603
      },
      {
        "type": "I/SigI",
        "value": 21.38
      },
      {
        "type": "Completeness",
        "value": 99.09
      },
      {
        "type": "Redundancy",
        "value": 24.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  }
}
  

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


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