Data quality metrics extracted from 3uct.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": "5ab9870cf6d3b0d306aa115bb189af32",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.288,
    "b": 35.463,
    "c": 58.343,
    "alpha": 90.00,
    "beta": 93.12,
    "gamma": 90.00
  },
  "wavelengths": [1.75870,1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.257,1.900],
    "number_observations_unique": 11882,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 26.6
      },
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  }
}
  

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


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