Data quality metrics extracted from 5k1r.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": "05656b4b582bd25154681bcfaa37e82a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.600,
    "b": 126.776,
    "c": 59.725,
    "alpha": 90.00,
    "beta": 97.51,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.27,2.104],
    "number_observations_unique": 101458,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1336
      },
      {
        "type": "I/SigI",
        "value": 8.57
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  }
}
  

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


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