Data quality metrics extracted from 9kl9.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": "51ff1290c70bb68204707d41ce249d6d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.713,
    "b": 51.615,
    "c": 56.679,
    "alpha": 103.233,
    "beta": 103.613,
    "gamma": 96.661
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.17,2.899],
    "number_observations_unique": 10117,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.19
      },
      {
        "type": "Completeness",
        "value": 97.23
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.805
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.19,2.9],
      "number_observations_unique": 2511,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.336
        }
      ]
    }
  ]

}
  

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


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