Data quality metrics extracted from 1xnq.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": "39cf8f90c95aa1dee7340a664d574f2e",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 401.135,
    "b": 401.135,
    "c": 175.193,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.0,3.05],
    "number_observations_unique": 272898,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.83
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 27.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.16,3.05],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.88
        },
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    }
  ]

}
  

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


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