Data quality metrics extracted from 9gnl.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": "6feeb23f1c5af75b557b866e34f2fc35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.535,
    "b": 49.621,
    "c": 65.950,
    "alpha": 90.000,
    "beta": 99.725,
    "gamma": 90.000
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.83,2.4],
    "number_observations_unique": 47169,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 8.7
      },
      {
        "type": "Completeness",
        "value": 98.25
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.489,2.4],
      "number_observations_unique": 14366,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.922
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 96.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.62
        }
      ]
    }
  ]

}
  

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


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