Data quality metrics extracted from 5klq.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": "d4e4b75a30a14e7482a6447b20014a37",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.131,
    "b": 82.295,
    "c": 86.268,
    "alpha": 64.20,
    "beta": 76.69,
    "gamma": 89.35
  },
  "wavelengths": [0.97740],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.57,3.40],
    "number_observations_unique": 15997,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  }
}
  

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


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