Data quality metrics extracted from 1lky.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": "e329b2024542e9d25e3cb1523760f8ae",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.752,
    "b": 60.291,
    "c": 62.318,
    "alpha": 116.21,
    "beta": 98.89,
    "gamma": 98.65
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.3],
    "number_observations_unique": 53910,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "Completeness",
        "value": 97.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.3],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    }
  ]

}
  

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


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