Data quality metrics extracted from 7zon.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": "c43d8843a2e58df741b682a6804d308a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 43.082,
    "b": 111.970,
    "c": 71.306,
    "alpha": 90.000,
    "beta": 100.322,
    "gamma": 90.000
  },
  "wavelengths": [0.99187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.64,1.77],
    "number_observations_unique": 31344,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 14.65
      },
      {
        "type": "Completeness",
        "value": 97.03
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.77],
      "number_observations_unique": 2569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.91
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    }
  ]

}
  

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


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