Data quality metrics extracted from 3sh4.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": "3d7f2eeafade8ffe49490212dfb57341",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.950,
    "b": 54.655,
    "c": 64.353,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.6700,1.5],
    "number_observations_unique": 22563,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.1
      }
    ]
  }
}
  

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


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