Data quality metrics extracted from 4c6s.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": "d11ed6f04c76ba8f7cd26d102b8b3885",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 71.265,
    "b": 71.265,
    "c": 66.724,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370,1.37760],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.24,1.75],
    "number_observations_unique": 17927,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 32.30
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 14
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.50
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.3
        }
      ]
    }
  ]

}
  

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


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