Data quality metrics extracted from 5xmf.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": "fcb0043608ec45094dba5a8b94da997e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 47.421,
    "b": 83.379,
    "c": 121.636,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.1],
    "number_observations_unique": 27016,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.542
      },
      {
        "type": "I/SigI",
        "value": 7.31
      },
      {
        "type": "Completeness",
        "value": 99.55
      },
      {
        "type": "Redundancy",
        "value": 12.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.157,2.103],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "I/SigI",
          "value": 30.971
        },
        {
          "type": "Completeness",
          "value": 99.55
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    }
  ]

}
  

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


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