Data quality metrics extracted from 3quj.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": "ac29401a0c41b9ace617e5565646da01",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.768,
    "b": 64.399,
    "c": 107.688,
    "alpha": 90.00,
    "beta": 93.52,
    "gamma": 90.00
  },
  "wavelengths": [0.97929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.9,2.2],
    "number_observations_unique": 55007,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.0
      }
    ]
  }
}
  

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


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