Data quality metrics extracted from 1r6f.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": "53073e2b300c2c82f196b52ab26565c7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.881,
    "b": 45.086,
    "c": 46.915,
    "alpha": 76.20,
    "beta": 78.42,
    "gamma": 77.17
  },
  "wavelengths": [0.97950,0.97900,0.97190,0.97150],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [18.5,2.17],
    "number_observations_unique": 14116,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  }
}
  

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


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