Data quality metrics extracted from 4s2z.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": "a5376bfc603d0345d759f9789616339d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.853,
    "b": 70.051,
    "c": 60.962,
    "alpha": 90.0,
    "beta": 109.7,
    "gamma": 90.0
  },
  "wavelengths": [0.93000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [1.5,1.48],
    "number_observations_unique": 62605,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  }
}
  

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


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