Data quality metrics extracted from 5wiy.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": "a4067c6550ad6e34c4cc3d4178fb53a3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.04,
    "b": 69.18,
    "c": 78.60,
    "alpha": 90.00,
    "beta": 117.83,
    "gamma": 90.00
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.93,2.23],
    "number_observations_unique": 37651,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.8581
      },
      {
        "type": "I/SigI",
        "value": 28.50
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 8.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.909
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.23],
      "number_observations_unique": 3724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.115
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "Completeness",
          "value": 98.37
        },
        {
          "type": "Redundancy",
          "value": 8.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.225
        }
      ]
    }
  ]

}
  

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


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