Data quality metrics extracted from 3di0.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": "9afe090a8cf38d9f6d58c01b0779a27c",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 118.686,
    "b": 118.686,
    "c": 179.156,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [102.5,2.36],
    "number_observations_unique": 30624,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 16
      },
      {
        "type": "Redundancy",
        "value": 5.5
      }
    ]
  }
}
  

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


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