Data quality metrics extracted from 3b5w.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": "81fa81c0832ecc86eee5164f34c2af30",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 107.79,
    "b": 126.07,
    "c": 206.56,
    "alpha": 83.47,
    "beta": 76.25,
    "gamma": 84.07
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,5.3],
    "number_observations_unique": 36078,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 4.5
      }
    ]
  }
}
  

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


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