Data quality metrics extracted from 4wq4.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": "aeed9c2e9464c06875a3687ff8a6ed13",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.27,
    "b": 68.07,
    "c": 87.13,
    "alpha": 109.30,
    "beta": 92.98,
    "gamma": 117.23
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.33],
    "number_observations_unique": 49021,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.42
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 3.18
      }
    ]
  }
}
  

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


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