Data quality metrics extracted from 9nf6.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": "7c2ca1851d1c8cc5804f1511ed417819",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 152.396,
    "b": 88.062,
    "c": 79.318,
    "alpha": 90.000,
    "beta": 100.339,
    "gamma": 90.000
  },
  "wavelengths": [1.13000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.60],
    "number_observations_unique": 29108,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 5.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.60],
      "number_observations_unique": 1475,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.459
        }
      ]
    }
  ]

}
  

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


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