Data quality metrics extracted from 3nzn.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": "563574796aaced35fa4ac83877b8dc18",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 109.423,
    "b": 31.542,
    "c": 57.935,
    "alpha": 90.00,
    "beta": 109.12,
    "gamma": 90.00
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.69,1.1],
    "number_observations_unique": 63391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 21.24
      },
      {
        "type": "Completeness",
        "value": 87.66
      },
      {
        "type": "Redundancy",
        "value": 4.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.129,1.1],
      "number_observations_unique": 5273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 35.67
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    }
  ]

}
  

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


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