Data quality metrics extracted from 1r6u.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": "79c3a4e0a20720c28aac2a856e0aa58e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 134.658,
    "b": 96.460,
    "c": 97.132,
    "alpha": 90.0,
    "beta": 129.9,
    "gamma": 90.0
  },
  "wavelengths": [0.91162],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.0],
    "number_observations_unique": 126480,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 34.70
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    }
  ]

}
  

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


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