Data quality metrics extracted from 1ux4.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": "cb9494bae0936f27daff76df19d92e2f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 98.1,
    "b": 172.2,
    "c": 120.6,
    "alpha": 90.0,
    "beta": 112.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.300],
    "number_observations_unique": 22747,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05800
      },
      {
        "type": "I/SigI",
        "value": 12.5000
      },
      {
        "type": "Completeness",
        "value": 82.0
      },
      {
        "type": "Redundancy",
        "value": 2.400
      }
    ]
  }
}
  

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


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