Data quality metrics extracted from 4ue0.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": "194d3a7eaeca7d7de0103b9aa6bcd7c7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.33,
    "b": 48.19,
    "c": 52.07,
    "alpha": 117.11,
    "beta": 95.56,
    "gamma": 110.17
  },
  "wavelengths": [0.97630,1.00230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.15,1.17],
    "number_observations_unique": 103174,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 15.70
      },
      {
        "type": "Completeness",
        "value": 91.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.21,1.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35
        },
        {
          "type": "I/SigI",
          "value": 2.60
        },
        {
          "type": "Completeness",
          "value": 86.7
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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