Data quality metrics extracted from 1o6u.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": "6d90467746f96ace0a1f5671b47a2056",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.794,
    "b": 84.240,
    "c": 87.111,
    "alpha": 116.26,
    "beta": 102.39,
    "gamma": 99.87
  },
  "wavelengths": [0.97884],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.050],
    "number_observations_unique": 184572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09300
      },
      {
        "type": "I/SigI",
        "value": 15.7000
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25100
        },
        {
          "type": "I/SigI",
          "value": 3.900
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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