Data quality metrics extracted from 1deh.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": "255a6a72cf075c5d8cb619fe383c2ce5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.04,
    "b": 44.54,
    "c": 93.32,
    "alpha": 92.56,
    "beta": 103.26,
    "gamma": 68.84
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.,2.19],
    "number_observations_unique": 34095,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1
      },
      {
        "type": "Completeness",
        "value": 83.0
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  }
}
  

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


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