Data quality metrics extracted from 3c6b.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": "ae891a51bd17df94e30eaca1ed4eceae",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 57.902,
    "b": 68.990,
    "c": 78.993,
    "alpha": 90.00,
    "beta": 92.58,
    "gamma": 90.00
  },
  "wavelengths": [1.54180,1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.91,2.17],
    "number_observations_unique": 16188,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 11.13
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 5.05
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.17],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.32
        },
        {
          "type": "Completeness",
          "value": 82.8
        },
        {
          "type": "Redundancy",
          "value": 2.35
        }
      ]
    }
  ]

}
  

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


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