Data quality metrics extracted from 9bjh.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": "7388a9a07d8cee3925e5fd5e88363601",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.868,
    "b": 71.620,
    "c": 132.927,
    "alpha": 94.105,
    "beta": 99.195,
    "gamma": 112.393
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.87,2.8],
    "number_observations_unique": 41930,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1122
      },
      {
        "type": "R(meas)",
        "value": 0.1586
      },
      {
        "type": "R(pim)",
        "value": 0.1122
      },
      {
        "type": "I/SigI",
        "value": 3.52
      },
      {
        "type": "Completeness",
        "value": 86.57
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  }
}
  

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


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