Data quality metrics extracted from 3i6u.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": "24bfccfe1686fa12f690f966b4bc7acc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 123.9,
    "b": 152.2,
    "c": 52.4,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97922],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.000],
    "number_observations_unique": 20144,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05100
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 4.960
      }
    ]
  }
}
  

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


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