Data quality metrics extracted from 2wff.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": "641a163e158de13dbc7e9f1e4b788e2e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 314.0,
    "b": 497.8,
    "c": 556.5,
    "alpha": 90.00,
    "beta": 92.35,
    "gamma": 90.00
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,3.50],
    "number_observations_unique": 491997,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.44
      },
      {
        "type": "Completeness",
        "value": 22.9
      },
      {
        "type": "Redundancy",
        "value": 1.4
      }
    ]
  }
}
  

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


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