Data quality metrics extracted from 3dd9.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": "97de3543b686fc2f3feb8f99daac8998",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.084,
    "b": 197.988,
    "c": 54.109,
    "alpha": 90.00,
    "beta": 93.04,
    "gamma": 90.00
  },
  "wavelengths": [0.80810],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.0,2.45],
    "number_observations_unique": 40809,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  }
}
  

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


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