Data quality metrics extracted from 4iov.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": "e5e8c33c284cc51c439e6d108a94edc1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 246.396,
    "b": 247.521,
    "c": 250.332,
    "alpha": 70.38,
    "beta": 65.37,
    "gamma": 60.17
  },
  "wavelengths": [0.91250],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,3.5],
    "number_observations_unique": 397503,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.159
      },
      {
        "type": "I/SigI",
        "value": 2.98
      },
      {
        "type": "Completeness",
        "value": 68.5
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.63,3.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 1.65
        },
        {
          "type": "Completeness",
          "value": 66
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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