Data quality metrics extracted from 4nab.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": "e2d9df184a5285dd5fc8c71083adeab8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.01,
    "b": 55.79,
    "c": 161.79,
    "alpha": 90.00,
    "beta": 109.29,
    "gamma": 90.00
  },
  "wavelengths": [0.97935],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.000,3.500],
    "number_observations_unique": 18252,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.60,3.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    }
  ]

}
  

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


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