Data quality metrics extracted from 5g5e.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": "e6ee8c0601ad2816c62021eefa64528f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.162,
    "b": 49.414,
    "c": 53.348,
    "alpha": 90.00,
    "beta": 103.17,
    "gamma": 90.00
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.30,1.80],
    "number_observations_unique": 20863,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.33
      },
      {
        "type": "I/SigI",
        "value": 28.00
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 19.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.46
        },
        {
          "type": "I/SigI",
          "value": 16.80
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.9
        }
      ]
    }
  ]

}
  

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


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