Data quality metrics extracted from 6l4k.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": "422b36c58bc189eb0f39738ace30b32d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.356,
    "b": 93.523,
    "c": 96.359,
    "alpha": 74.89,
    "beta": 89.68,
    "gamma": 80.04
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.53,2.09],
    "number_observations_unique": 63319,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Completeness",
        "value": 97.91
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.139,2.09],
      "number_observations_unique": 3977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        }
      ]
    }
  ]

}
  

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


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