Data quality metrics extracted from 4u7s.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": "fe5b2d6b8a4ae5f6a5bb0e968e8cee23",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 67.776,
    "b": 72.978,
    "c": 117.155,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.66,2.07],
    "number_observations_unique": 17180,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0663
      },
      {
        "type": "I/SigI",
        "value": 24.28
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 7.79
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.07],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1960
        },
        {
          "type": "I/SigI",
          "value": 5.88
        },
        {
          "type": "Completeness",
          "value": 79.1
        },
        {
          "type": "Redundancy",
          "value": 2.45
        }
      ]
    }
  ]

}
  

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


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