Data quality metrics extracted from 5f31.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": "4d519a629473f247a8fb0e9e69f76717",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 80.302,
    "b": 80.302,
    "c": 113.766,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99996],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.19,2.43],
    "number_observations_unique": 14652,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 4.6
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.5
      }
    ]
  }
}
  

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


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