Data quality metrics extracted from 4wq5.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": "954bcc7a4833ca31f4af27512d7afbf3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.69,
    "b": 68.08,
    "c": 87.34,
    "alpha": 109.31,
    "beta": 92.56,
    "gamma": 117.94
  },
  "wavelengths": [0.99900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.33],
    "number_observations_unique": 48866,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.06
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 3.34
      }
    ]
  }
}
  

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


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