Data quality metrics extracted from 5i54.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": "79f0f1e4eb83524f9b7c1a6f715b8a0c",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 79.04,
    "b": 79.04,
    "c": 36.60,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.95,1.608],
    "number_observations_unique": 15566,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 30.22
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  }
}
  

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


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