Data quality metrics extracted from 3s2e.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": "1ea006b4312a1cf62dfc58d85413d7a4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.187,
    "b": 92.744,
    "c": 117.684,
    "alpha": 106.11,
    "beta": 89.95,
    "gamma": 90.13
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.05,1.76],
    "number_observations_unique": 251263,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91.96
      }
    ]
  }
}
  

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


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