Data quality metrics extracted from 1qn2.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": "e7659ef28bc5124855006a3ff4758f00",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.76,
    "b": 57.57,
    "c": 50.95,
    "alpha": 67.81,
    "beta": 89.33,
    "gamma": 74.40
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.000],
    "number_observations_unique": 16999,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06100
      },
      {
        "type": "I/SigI",
        "value": 16.3000
      },
      {
        "type": "Completeness",
        "value": 94.4
      },
      {
        "type": "Redundancy",
        "value": 2.250
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.01],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13400
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 71.5
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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