Data quality metrics extracted from 5bs8.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": "27ea4986a711e97a06927f692c3db2eb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 108.357,
    "b": 83.070,
    "c": 129.856,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [102.3,2.399],
    "number_observations_unique": 83492,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08799
      },
      {
        "type": "I/SigI",
        "value": 10.66
      },
      {
        "type": "Completeness",
        "value": 97.68
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  }
}
  

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


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