Data quality metrics extracted from 1xxv.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": "e8d099acf60e1175d2820e780a1ad8cc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.13,
    "b": 47.17,
    "c": 71.82,
    "alpha": 104.45,
    "beta": 115.05,
    "gamma": 89.97
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.5],
    "number_observations_unique": 18319,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "Completeness",
        "value": 85.5
      }
    ]
  }
}
  

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


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