Data quality metrics extracted from 5lgk.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": "0542faeb7733dfa9a0ad81453550df9d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 80.52,
    "b": 85.32,
    "c": 88.23,
    "alpha": 117.87,
    "beta": 90.32,
    "gamma": 112.62
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [76.0,3.50],
    "number_observations_unique": 21032,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.319
      },
      {
        "type": "I/SigI",
        "value": 2.1
      },
      {
        "type": "Completeness",
        "value": 89.3
      },
      {
        "type": "Redundancy",
        "value": 1.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.69,3.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.758
        }
      ]
    }
  ]

}
  

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


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