Data quality metrics extracted from 2buc.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": "458c0ac4b44a494b8b4044a2e77cb10b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.644,
    "b": 117.491,
    "c": 133.057,
    "alpha": 112.44,
    "beta": 94.72,
    "gamma": 91.30
  },
  "wavelengths": [0.97954],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.280,2.500],
    "number_observations_unique": 115542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.20000
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 1.980
      }
    ]
  }
}
  

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


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