Data quality metrics extracted from 5ucn.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": "fd28ccd4abaf5bac7f81d9da8e3dc831",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.308,
    "b": 62.612,
    "c": 64.507,
    "alpha": 82.17,
    "beta": 75.88,
    "gamma": 74.17
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45,1.67],
    "number_observations_unique": 58107,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 86.8
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.67],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 39.1
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    }
  ]

}
  

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


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