Data quality metrics extracted from 5nnu.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": "40dd198cf3f8f02e5668f216ccf96fea",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 82.10,
    "b": 70.80,
    "c": 140.25,
    "alpha": 90.00,
    "beta": 94.36,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.09,2.97],
    "number_observations_unique": 33476,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "R(pim)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 6.7
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  }
}
  

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


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