Data quality metrics extracted from 4ema.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": "bea213c3ca44417ebe47c9d1e338aa44",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 90.511,
    "b": 61.958,
    "c": 117.601,
    "alpha": 90.0,
    "beta": 100.7,
    "gamma": 90.0
  },
  "wavelengths": [1.46000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.89,2.54],
    "number_observations_unique": 20835,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.54],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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