Data quality metrics extracted from 6eaq.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": "d24a3c434f42e8d7e510107d8a574084",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 123.629,
    "b": 49.388,
    "c": 139.415,
    "alpha": 90.00,
    "beta": 103.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.695,2.22],
    "number_observations_unique": 40439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1769
      },
      {
        "type": "I/SigI",
        "value": 7.01
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.299,2.22],
      "number_observations_unique": 3536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.41
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    }
  ]

}
  

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


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