Data quality metrics extracted from 6je0.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": "5233413d9a8dafb0b3533e85b0bed674",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.426,
    "b": 57.357,
    "c": 64.910,
    "alpha": 73.97,
    "beta": 80.80,
    "gamma": 68.77
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.25,1.43],
    "number_observations_unique": 96822,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 17.36
      },
      {
        "type": "Completeness",
        "value": 91.58
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.482,1.43],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "I/SigI",
          "value": 2.88
        },
        {
          "type": "Completeness",
          "value": 87.94
        },
        {
          "type": "Redundancy",
          "value": 3.4
        }
      ]
    }
  ]

}
  

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


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