Data quality metrics extracted from 5tod.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": "b56a6fdeadfc315a9c9ebad25ad55662",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.395,
    "b": 117.098,
    "c": 148.133,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [148.130,2.958],
    "number_observations_unique": 30469,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09300
      },
      {
        "type": "I/SigI",
        "value": 28.5000
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 12.70
      }
    ]
  }
}
  

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


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