Data quality metrics extracted from 8qe3.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": "44688adf753e57b3c56d32c113d2a3a9",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 68.161,
    "b": 94.012,
    "c": 116.570,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.81532],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.18,1.089],
    "number_observations_unique": 105391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.106
      },
      {
        "type": "R(pim)",
        "value": 0.028
      },
      {
        "type": "I/SigI",
        "value": 13.6
      },
      {
        "type": "Completeness",
        "value": 67.8
      },
      {
        "type": "Redundancy",
        "value": 13.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.171,1.089],
      "number_observations": 67794,
      "number_observations_unique": 5270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.478
        },
        {
          "type": "R(meas)",
          "value": 1.537
        },
        {
          "type": "R(pim)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    }
  ]

}
  

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


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