Data quality metrics extracted from 4qql.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": "15c9b6f2918a5cb9e3af375bdd54f2c3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.59,
    "b": 82.60,
    "c": 86.20,
    "alpha": 61.44,
    "beta": 84.50,
    "gamma": 74.93
  },
  "wavelengths": [0.97945],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.79,2.39],
    "number_observations_unique": 31044,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 65
      }
    ]
  }
}
  

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


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