Data quality metrics extracted from 6qng.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": "310dcb29df953a429029bb5193ef5d48",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.93,
    "b": 66.05,
    "c": 80.95,
    "alpha": 82.09,
    "beta": 84.41,
    "gamma": 86.17
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.33,1.67],
    "number_observations_unique": 89465,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.168
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 80.5
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.67],
      "number_observations_unique": 12267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 75.6
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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