Data quality metrics extracted from 5nzo.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": "639633f700f5a6e4e075290432915347",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.391,
    "b": 45.783,
    "c": 54.807,
    "alpha": 97.05,
    "beta": 110.12,
    "gamma": 106.65
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.9,1.29],
    "number_observations_unique": 73976,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 4.0
      },
      {
        "type": "Completeness",
        "value": 82.8
      },
      {
        "type": "Redundancy",
        "value": 1.94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.31],
      "number_observations_unique": 3742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.917
        },
        {
          "type": "Completeness",
          "value": 84.2
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.352
        }
      ]
    }
  ]

}
  

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


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