Data quality metrics extracted from 3f6g.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": "519f716fce5f28e4be06b675e15fbad8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 61.315,
    "b": 97.943,
    "c": 39.974,
    "alpha": 90.00,
    "beta": 91.38,
    "gamma": 90.00
  },
  "wavelengths": [1.54180,0.97890,0.97960,0.96430],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.0],
    "number_observations_unique": 15916,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "number_observations_unique": 5456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.327
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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