Data quality metrics extracted from 5ibl.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": "683c29c8e69653907e99e82f0a300006",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.13,
    "b": 104.72,
    "c": 116.66,
    "alpha": 101.95,
    "beta": 95.33,
    "gamma": 98.36
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.81,3.39],
    "number_observations_unique": 32602,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 4.3
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.59,3.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.73
        },
        {
          "type": "I/SigI",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 94
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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