Data quality metrics extracted from 5wnf.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": "4cab70d7d2b09f25dfdf0f14c3e96120",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.905,
    "b": 82.292,
    "c": 169.739,
    "alpha": 90.00,
    "beta": 115.87,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.790,2.450],
    "number_observations_unique": 74142,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09500
      },
      {
        "type": "I/SigI",
        "value": 6.0000
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.780
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.63700
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    }
  ]

}
  

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


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