Data quality metrics extracted from 6c6g.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": "803b0f3b222c17cbf5ac6a3d0a7d4dee",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 78.629,
    "b": 88.909,
    "c": 141.852,
    "alpha": 90.00,
    "beta": 101.32,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.91,2.10],
    "number_observations_unique": 55955,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.326
      },
      {
        "type": "R(pim)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 6.7
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 7.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.10],
      "number_observations_unique": 4588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.282
        },
        {
          "type": "R(pim)",
          "value": 0.496
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.656
        }
      ]
    }
  ]

}
  

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


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