Data quality metrics extracted from 397d.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": "2705fda3f0d6f33ce7e7d1e7e757dded",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 27.1,
    "b": 27.1,
    "c": 31.6,
    "alpha": 69.2,
    "beta": 77.5,
    "gamma": 63.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.300],
    "number_observations_unique": 17465,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0600000
      },
      {
        "type": "Completeness",
        "value": 95.000
      },
      {
        "type": "Redundancy",
        "value": 4.800
      }
    ]
  }
}
  

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


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