Data quality metrics extracted from 3do4.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": "7d67d5f7707b2c1ca6797892effdd3e1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.586,
    "b": 75.907,
    "c": 107.267,
    "alpha": 90.0,
    "beta": 93.1,
    "gamma": 90.0
  },
  "wavelengths": [0.97290],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [107.2,2.4],
    "number_observations_unique": 38055,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  }
}
  

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


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