Data quality metrics extracted from 1pjl.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": "58c8e9bfae49afa8ed9e520b339a325d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 113.3,
    "b": 119.0,
    "c": 125.9,
    "alpha": 116.5,
    "beta": 94.8,
    "gamma": 102.8
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.9],
    "number_observations_unique": 105876,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "Completeness",
        "value": 0.82
      },
      {
        "type": "Redundancy",
        "value": 3
      }
    ]
  }
}
  

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


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