Data quality metrics extracted from 3d1e.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": "39fd6f61f76861084f570c6e8065675a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.139,
    "b": 69.869,
    "c": 73.119,
    "alpha": 112.89,
    "beta": 91.08,
    "gamma": 99.28
  },
  "wavelengths": [0.95900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.78],
    "number_observations_unique": 60707,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 94.3
      }
    ]
  }
}
  

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


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