Data quality metrics extracted from 1n8j.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": "a3aa13746a97f75c2ea1d2fc69fe6990",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 106.08,
    "b": 107.33,
    "c": 120.08,
    "alpha": 102.43,
    "beta": 116.22,
    "gamma": 98.81
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.99,2.17],
    "number_observations_unique": 210095,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 89.3
      }
    ]
  }
}
  

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


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