Data quality metrics extracted from 8a5m.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": "b56c8dda260e7cb9b3d6e6fea317defb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.919,
    "b": 112.972,
    "c": 53.036,
    "alpha": 90.000,
    "beta": 102.928,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [112.97,2.918],
    "number_observations_unique": 10246,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 24.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  }
}
  

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


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