Data quality metrics extracted from 9eck.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": "24e4bbd0445a6b4fdeb33804b9aa2cdc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.615,
    "b": 59.408,
    "c": 100.850,
    "alpha": 94.05,
    "beta": 93.83,
    "gamma": 115.36
  },
  "wavelengths": [1.20000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.2],
    "number_observations_unique": 15703,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.3
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.4,3.2],
      "number_observations_unique": 12000,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.2
        }
      ]
    }
  ]

}
  

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


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