Data quality metrics extracted from 6igc.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": "b33e8003f7fe0dd5cb4390aca686e040",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 136.543,
    "b": 209.761,
    "c": 212.630,
    "alpha": 60.50,
    "beta": 85.07,
    "gamma": 90.12
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.5],
    "number_observations_unique": 248099,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.56,3.50],
      "number_observations_unique": 11253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.645
        }
      ]
    }
  ]

}
  

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


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