Data quality metrics extracted from 3qu2.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": "293d8514bb43eb064326baa6dde5c237",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 137.602,
    "b": 71.761,
    "c": 114.525,
    "alpha": 90.0,
    "beta": 105.8,
    "gamma": 90.0
  },
  "wavelengths": [1.08090],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,1.940],
    "number_observations_unique": 79445,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12400
      },
      {
        "type": "I/SigI",
        "value": 3.4000
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 4.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.94],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.80
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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