Data quality metrics extracted from 6qe4.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": "ce1cb7230b2c3e172d2f8f21ce1dabe5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.111,
    "b": 43.048,
    "c": 59.281,
    "alpha": 77.92,
    "beta": 75.63,
    "gamma": 71.67
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.84,2.300],
    "number_observations_unique": 14998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.19000
      },
      {
        "type": "I/SigI",
        "value": 6.5000
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 11.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.36,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.88000
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 11.2
        }
      ]
    }
  ]

}
  

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


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