Data quality metrics extracted from 6e6o.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": "f1ae50908bb800c22e08f2a1b5115f37",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 53.44,
    "b": 22.56,
    "c": 23.01,
    "alpha": 90.00,
    "beta": 110.57,
    "gamma": 90.00
  },
  "wavelengths": [0.61920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.02,0.7],
    "number_observations_unique": 39777,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09503
      },
      {
        "type": "I/SigI",
        "value": 9.41
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.725,0.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.447
        }
      ]
    }
  ]

}
  

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


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