Data quality metrics extracted from 5axo.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": "e60d9cdba0e7e9d2a8ae498ebad4f529",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.90,
    "b": 41.17,
    "c": 45.32,
    "alpha": 107.95,
    "beta": 102.46,
    "gamma": 106.85
  },
  "wavelengths": [1.12000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.62,1.39],
    "number_observations_unique": 39458,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Completeness",
        "value": 86.2
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 86.0
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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