Data quality metrics extracted from 3smh.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": "4af169680f454938021ed10fc15c4133",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 156.492,
    "b": 89.008,
    "c": 158.966,
    "alpha": 90.00,
    "beta": 107.15,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15,2.43],
    "number_observations_unique": 122061,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99
      }
    ]
  }
}
  

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


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