Data quality metrics extracted from 4x2s.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": "d8468d935bd0fd3ff2afc98cc89b53b2",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 121.651,
    "b": 121.651,
    "c": 578.699,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,4.2],
    "number_observations_unique": 15575,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 23
      },
      {
        "type": "Completeness",
        "value": 82
      },
      {
        "type": "Redundancy",
        "value": 10.8
      }
    ]
  }
}
  

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


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