Data quality metrics extracted from 5n8s.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": "e7fae4e5228ea03aa1dc3d654bd42c64",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 297.981,
    "b": 49.923,
    "c": 163.847,
    "alpha": 90.00,
    "beta": 115.01,
    "gamma": 90.00
  },
  "wavelengths": [0.97540],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.1,2.88],
    "number_observations_unique": 50207,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 8.91
      },
      {
        "type": "Completeness",
        "value": 99.37
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.983,2.88],
      "number_observations_unique": 4979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "I/SigI",
          "value": 2.24
        },
        {
          "type": "Completeness",
          "value": 99.82
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    }
  ]

}
  

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


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