Data quality metrics extracted from 6ele.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": "a777eb39ef472a93dc07d6c96451c586",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.417,
    "b": 74.131,
    "c": 76.515,
    "alpha": 101.93,
    "beta": 102.23,
    "gamma": 111.27
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.32,1.78],
    "number_observations_unique": 90969,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 8.24
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 3.36
      }
    ]
  }
}
  

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


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