Data quality metrics extracted from 2aa1.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": "91a2da4dcd54266f14944309d9552aef",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.097,
    "b": 60.801,
    "c": 61.232,
    "alpha": 80.73,
    "beta": 81.36,
    "gamma": 62.01
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77
        }
      ]
    }
  ]

}
  

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


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