Data quality metrics extracted from 1aj2.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": "5e96b006088089831d0a698c40c8827b",
  "space_group_name": "C 1 21 1",
  "unit_cell": {
    "a": 93.50,
    "b": 60.94,
    "c": 59.93,
    "alpha": 90.0,
    "beta": 114.8,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.95],
    "number_observations_unique": 14242,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0670000
      },
      {
        "type": "Completeness",
        "value": 69.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.2,1.95],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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