Data quality metrics extracted from 2aca.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": "a181960cb8b018105770fdd29699fbe2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 123.866,
    "b": 41.964,
    "c": 91.740,
    "alpha": 90.00,
    "beta": 125.66,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.25],
    "number_observations_unique": 37420,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  }
}
  

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


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