Data quality metrics extracted from 3nxq.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": "d409b907e10940d0070309125552bc38",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.882,
    "b": 76.685,
    "c": 82.646,
    "alpha": 88.63,
    "beta": 64.17,
    "gamma": 75.70
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.99],
    "number_observations_unique": 106279,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 12.7
      }
    ]
  }
}
  

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


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