Data quality metrics extracted from 3e15.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": "3c4d221d4587af73d5b19898b80cc943",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.524,
    "b": 80.846,
    "c": 89.765,
    "alpha": 63.98,
    "beta": 88.10,
    "gamma": 80.01
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.582,2.000],
    "number_observations_unique": 76585,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "Completeness",
        "value": 98.000
      },
      {
        "type": "Redundancy",
        "value": 4.000
      }
    ]
  }
}
  

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


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