Data quality metrics extracted from 4tuo.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": "d25f42515344af345af9dfc7840a96c9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.087,
    "b": 61.089,
    "c": 65.358,
    "alpha": 107.79,
    "beta": 113.43,
    "gamma": 95.68
  },
  "wavelengths": [0.88563],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.28,1.55],
    "number_observations_unique": 99734,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 11.0
      },
      {
        "type": "Completeness",
        "value": 90.5
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.605,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 89.7
        },
        {
          "type": "Redundancy",
          "value": 3.8
        }
      ]
    }
  ]

}
  

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


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