Data quality metrics extracted from 11gn.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "857000b4f450d83012ec6196e82a561d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.970,
    "b": 74.504,
    "c": 96.439,
    "alpha": 90.000,
    "beta": 93.213,
    "gamma": 90.000
  },
  "wavelengths": [1.11586],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.9,1.29],
    "number_observations_unique": 158419,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.29],
      "number_observations_unique": 14759,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.537
        }
      ]
    }
  ]

}
  

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


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