Data quality metrics extracted from 2xjj.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": "1a24610fcc409d197cc01047bced2644",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.326,
    "b": 56.098,
    "c": 61.607,
    "alpha": 82.59,
    "beta": 84.71,
    "gamma": 69.24
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.60,1.90],
    "number_observations_unique": 38441,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 3.34
      }
    ]
  }
}
  

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


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