Data quality metrics extracted from 5da8.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": "ce31b929b7e10ca6f9a3b877eb0340cf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 138.996,
    "b": 159.781,
    "c": 228.823,
    "alpha": 75.46,
    "beta": 90.51,
    "gamma": 91.22
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.000],
    "number_observations_unique": 375234,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05000
      },
      {
        "type": "I/SigI",
        "value": 10.0000
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 2.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43600
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 2.60
        }
      ]
    }
  ]

}
  

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


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