Data quality metrics extracted from 6qir.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": "4c90c8713841a8c017fa4dca927302f7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 77.024,
    "b": 46.747,
    "c": 54.811,
    "alpha": 90.00,
    "beta": 129.72,
    "gamma": 90.00
  },
  "wavelengths": [0.91710],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.158,1.53],
    "number_observations_unique": 43700,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.53],
      "number_observations_unique": 6954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.241
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 96.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    }
  ]

}
  

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


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