Data quality metrics extracted from 5tze.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": "12b333aa46e98ae5cb118c84e1d036cc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.51,
    "b": 57.58,
    "c": 86.48,
    "alpha": 83.81,
    "beta": 82.92,
    "gamma": 61.88
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.43,2.33],
    "number_observations_unique": 39577,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07954
      },
      {
        "type": "I/SigI",
        "value": 9.91
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.933
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.41,2.33],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4743
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 96
        },
        {
          "type": "Redundancy",
          "value": 2
        },
        {
          "type": "CC(1/2)",
          "value": 0.662
        }
      ]
    }
  ]

}
  

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


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