Data quality metrics extracted from 1qng.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": "6672b6c20c022b41f632367d72ed576e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.46,
    "b": 37.69,
    "c": 37.99,
    "alpha": 61.08,
    "beta": 62.70,
    "gamma": 85.08
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.800,2.100],
    "number_observations_unique": 8101,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03500
      },
      {
        "type": "I/SigI",
        "value": 26.3000
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06100
        },
        {
          "type": "I/SigI",
          "value": 15.000
        },
        {
          "type": "Completeness",
          "value": 89.5
        },
        {
          "type": "Redundancy",
          "value": 3.00
        }
      ]
    }
  ]

}
  

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


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