Data quality metrics extracted from 8wth.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": "1b3ae3596be11a45c4e971ccaa52a919",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.656,
    "b": 41.706,
    "c": 47.983,
    "alpha": 90.000,
    "beta": 98.881,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29,3.45],
    "number_observations_unique": 2998,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3
      },
      {
        "type": "CC(1/2)",
        "value": 0.78
      }
    ]
  }
}
  

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


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