Data quality metrics extracted from 6rjs.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": "99a08b9581a60f0a45e7e3888a673b19",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.205,
    "b": 64.064,
    "c": 114.495,
    "alpha": 77.93,
    "beta": 83.86,
    "gamma": 73.97
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [111.81,2.6],
    "number_observations_unique": 42461,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 92.02
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  }
}
  

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


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