Data quality metrics extracted from 1nr1.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": "f692fa206d639345b3a192b2aedc7a32",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 96.92,
    "b": 98.64,
    "c": 124.26,
    "alpha": 86.48,
    "beta": 69.69,
    "gamma": 60.87
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.,3.30],
    "number_observations_unique": 50903,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.45,3.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 63
        }
      ]
    }
  ]

}
  

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


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