Data quality metrics extracted from 7nui.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": "fa49a65f37ad6c09fc1ce3d59d2ff555",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 90.236,
    "b": 40.206,
    "c": 125.978,
    "alpha": 90.00,
    "beta": 101.53,
    "gamma": 90.00
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.54,2.0],
    "number_observations_unique": 30185,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 30316
      },
      {
        "type": "Completeness",
        "value": 99.25
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [10,2.0],
      "number_observations_unique": 30184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2
        }
      ]
    }
  ]

}
  

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


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