Data quality metrics extracted from 6uj0.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": "47e2c027e1df11ccad10a04b438aa42e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.603,
    "b": 58.982,
    "c": 84.555,
    "alpha": 113.394,
    "beta": 93.673,
    "gamma": 96.382
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.14],
    "number_observations_unique": 43513,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 17.7
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.15],
      "number_observations_unique": 4122,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.372
        },
        {
          "type": "I/SigI",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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