Data quality metrics extracted from 5uck.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": "cdf83d164e463716b50aaaea9891bebf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.384,
    "b": 62.843,
    "c": 64.754,
    "alpha": 82.23,
    "beta": 75.97,
    "gamma": 74.40
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.19,1.782],
    "number_observations_unique": 51940,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0586
      },
      {
        "type": "I/SigI",
        "value": 9.02
      },
      {
        "type": "Completeness",
        "value": 85.29
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.846,1.782],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4454
        },
        {
          "type": "I/SigI",
          "value": 1.26
        },
        {
          "type": "Completeness",
          "value": 60.81
        },
        {
          "type": "Redundancy",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    }
  ]

}
  

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


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