Data quality metrics extracted from 6e6u.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": "0329228f8c9aa3bbfea74ae6df5f958d",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 80.361,
    "b": 80.361,
    "c": 78.323,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.36,1.55],
    "number_observations_unique": 71503,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 16.8
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 11.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.557,1.552],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.141
        }
      ]
    }
  ]

}
  

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


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