Data quality metrics extracted from 1d2o.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": "d90da5aee9aec2b810576760143d473b",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 96.907,
    "b": 101.538,
    "c": 121.000,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.3],
    "number_observations_unique": 24426,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0600000
      },
      {
        "type": "I/SigI",
        "value": 16.0
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 7.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.00],
      "number_observations_unique": 26962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2560000
        },
        {
          "type": "Completeness",
          "value": 88
        },
        {
          "type": "Redundancy",
          "value": 4.3
        }
      ]
    }
  ]

}
  

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


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