Data quality metrics extracted from 9nfr.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": "b50651cc9e3b9b753c28e3966c96a9c7",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 143.599,
    "b": 143.599,
    "c": 367.636,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95375],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.58,3.40],
    "number_observations_unique": 31052,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.336
      },
      {
        "type": "I/SigI",
        "value": 12.3
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 38.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.51,3.4],
      "number_observations_unique": 2011,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.404
        }
      ]
    }
  ]

}
  

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


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