Data quality metrics extracted from 5hre.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": "7820d7446c81b9b111c7cdf557a7dba7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 64.144,
    "b": 88.785,
    "c": 43.349,
    "alpha": 90.00,
    "beta": 94.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.75],
    "number_observations_unique": 22860,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 26.8
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  }
}
  

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


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