Data quality metrics extracted from 1bua.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": "28f381936a7097e35765846144a00248",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.3,
    "b": 64.2,
    "c": 49.4,
    "alpha": 109.3,
    "beta": 108.3,
    "gamma": 96.3
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.9],
    "number_observations_unique": 37374,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "Completeness",
        "value": 86
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  }
}
  

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


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