Data quality metrics extracted from 1jlk.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": "62b0540fca21557362c644631dac709a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.511,
    "b": 78.561,
    "c": 43.710,
    "alpha": 90.00,
    "beta": 107.68,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15,2.3],
    "number_observations_unique": 10745,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0470000
      },
      {
        "type": "I/SigI",
        "value": 29.1
      },
      {
        "type": "Completeness",
        "value": 92
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  }
}
  

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


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