Data quality metrics extracted from 3s2g.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": "205113dcc279bcf644b643059d6938d2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.080,
    "b": 92.472,
    "c": 116.855,
    "alpha": 106.28,
    "beta": 90.00,
    "gamma": 89.97
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46,1.9],
    "number_observations_unique": 114030,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.6
      }
    ]
  }
}
  

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


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