Data quality metrics extracted from 6fif.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": "3e9506a51af72b94123df5c9d5c619e4",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 119.684,
    "b": 67.569,
    "c": 151.850,
    "alpha": 90.00,
    "beta": 100.65,
    "gamma": 90.00
  },
  "wavelengths": [0.97963],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.89,2.54],
    "number_observations_unique": 39088,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 13.9
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  }
}
  

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


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