Data quality metrics extracted from 5um2.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": "995d600d50c0bcdb1451cf68b7a29d8f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 183.06,
    "b": 54.54,
    "c": 34.20,
    "alpha": 90.0,
    "beta": 98.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.16,1.14],
    "number_observations_unique": 207316,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 15.20
      },
      {
        "type": "Completeness",
        "value": 93.04
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  }
}
  

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


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