Data quality metrics extracted from 6dbs.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": "c2040396bd1b433f3c5ee706f6794a4a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 198.22,
    "b": 117.60,
    "c": 115.21,
    "alpha": 90.00,
    "beta": 123.79,
    "gamma": 90.00
  },
  "wavelengths": [1.07195],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.6],
    "number_observations_unique": 66071,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.60],
      "number_observations_unique": 4346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.559
        },
        {
          "type": "I/SigI",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 85.8
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.16
        }
      ]
    }
  ]

}
  

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


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