Data quality metrics extracted from 45ar.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d86d1756d7c5143df2ab46e42e5e6b50",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 208.455,
    "b": 208.455,
    "c": 77.672,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.57,3.0],
    "number_observations_unique": 75063,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1236
      },
      {
        "type": "I/SigI",
        "value": 8.92
      },
      {
        "type": "Completeness",
        "value": 99.35
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.04,3.0],
      "number_observations_unique": 2673,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    }
  ]

}
  

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


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