Data quality metrics extracted from 1njt.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": "8b670b67fadd05bebfdd3c7b1af6877a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 107.072,
    "b": 213.306,
    "c": 52.795,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.50],
    "number_observations_unique": 43637,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 85
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.63,2.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 72.7
        }
      ]
    }
  ]

}
  

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


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