Data quality metrics extracted from 9e4u.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": "c592e1bbb8cad4da000860d3fd55aa18",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 59.408,
    "b": 59.408,
    "c": 479.709,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.98,2.23],
    "number_observations_unique": 49894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1114
      },
      {
        "type": "I/SigI",
        "value": 10.87
      },
      {
        "type": "Completeness",
        "value": 99.79
      },
      {
        "type": "Redundancy",
        "value": 9.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.23],
      "number_observations_unique": 4876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.548
        },
        {
          "type": "I/SigI",
          "value": 0.92
        },
        {
          "type": "Completeness",
          "value": 99.65
        },
        {
          "type": "Redundancy",
          "value": 9.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.736
        }
      ]
    }
  ]

}
  

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


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