Data quality metrics extracted from 1ijs.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": "9529f6f93b069de4bb9205e818ea0d35",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 267.6,
    "b": 268.5,
    "c": 274.3,
    "alpha": 61.9,
    "beta": 62.6,
    "gamma": 60.2
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,3.500],
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0896
      },
      {
        "type": "Redundancy",
        "value": 1.200
      }
    ]
  }
}
  

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


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