Data quality metrics extracted from 4cf6.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": "7aa96a3a684fe9ca56c6eb44422d1ace",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 104.167,
    "b": 104.563,
    "c": 118.566,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.74,2.69],
    "number_observations_unique": 18149,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16
      },
      {
        "type": "I/SigI",
        "value": 9.30
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.84,2.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.81
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Completeness",
          "value": 97.0
        },
        {
          "type": "Redundancy",
          "value": 6.4
        }
      ]
    }
  ]

}
  

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


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