Data quality metrics extracted from 1xrr.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": "01c7e0664d7d8d74c863ed6fb9f232c5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 52.80,
    "b": 60.34,
    "c": 80.24,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [18.8,2.19],
    "number_observations_unique": 12466,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.0
      },
      {
        "type": "Completeness",
        "value": 96.3
      }
    ]
  }
}
  

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


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