Data quality metrics extracted from 1es1.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": "751cfced72492643bad4ceda57106f56",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 70.757,
    "b": 40.433,
    "c": 39.306,
    "alpha": 90.000,
    "beta": 111.876,
    "gamma": 90.000
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [12.0,2.1],
    "number_observations_unique": 5579,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0900000
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "Redundancy",
        "value": 1.93
      }
    ]
  }
}
  

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


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