Data quality metrics extracted from 5a5e.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": "3ce8e751b6bab6c982cef38cf4f43e11",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.120,
    "b": 70.433,
    "c": 100.581,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97624],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.83,1.84],
    "number_observations_unique": 34760,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 22.74
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 4.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.84],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.50
        },
        {
          "type": "I/SigI",
          "value": 3.01
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    }
  ]

}
  

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


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