Data quality metrics extracted from 1qo2.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": "ef2bdd714314bb16cc951ac9b31f9a05",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.78,
    "b": 73.16,
    "c": 62.70,
    "alpha": 90.00,
    "beta": 97.42,
    "gamma": 90.00
  },
  "wavelengths": [0.97893,0.97929,0.98089],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.841,1.850],
    "number_observations_unique": 34932,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04100
      },
      {
        "type": "I/SigI",
        "value": 17.0000
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.510
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26900
        },
        {
          "type": "I/SigI",
          "value": 2.530
        },
        {
          "type": "Completeness",
          "value": 91.9
        },
        {
          "type": "Redundancy",
          "value": 1.95
        }
      ]
    }
  ]

}
  

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


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