Data quality metrics extracted from 5j6q.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": "906550a3f656910a17d72a383bf17774",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.454,
    "b": 63.432,
    "c": 86.407,
    "alpha": 97.25,
    "beta": 100.53,
    "gamma": 91.96
  },
  "wavelengths": [1.00000,1.06900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.1,2.1],
    "number_observations_unique": 52216,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 15.15
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.174,2.1],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.03
        },
        {
          "type": "Completeness",
          "value": 69.45
        }
      ]
    }
  ]

}
  

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


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