Data quality metrics extracted from 2ado.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": "1b96b99b658511ac669b58d5725460ee",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.051,
    "b": 44.440,
    "c": 61.942,
    "alpha": 72.95,
    "beta": 87.54,
    "gamma": 61.80
  },
  "wavelengths": [1.11590,0.97955,1.01988],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,1.45],
    "number_observations_unique": 60634,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "Completeness",
        "value": 90.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.45],
      "number_observations": 5061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "Completeness",
          "value": 75.9
        }
      ]
    }
  ]

}
  

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


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