Data quality metrics extracted from 6ci2.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": "ad957d2838ac93bc0ac032f7a9cfb515",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 95.63,
    "b": 77.51,
    "c": 41.73,
    "alpha": 90.00,
    "beta": 103.84,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.50,1.96],
    "number_observations_unique": 21304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.96],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        }
      ]
    }
  ]

}
  

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


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