Data quality metrics extracted from 6k40.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": "ee4e70f153bff9851a4c920f66c95050",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 52.094,
    "b": 166.862,
    "c": 285.047,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97933],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.270],
    "number_observations_unique": 115515,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.514
      },
      {
        "type": "I/SigI",
        "value": 9.1000
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.60
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.27],
      "number_observations_unique": 5632,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.872
        },
        {
          "type": "I/SigI",
          "value": 0.889
        },
        {
          "type": "CC(1/2)",
          "value": 0.234
        }
      ]
    }
  ]

}
  

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


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