Data quality metrics extracted from 5fqm.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": "f5fdf42604cd3cee152c8b9c0de171fe",
  "space_group_name": "I 41",
  "unit_cell": {
    "a": 94.23,
    "b": 94.23,
    "c": 93.58,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.02000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.07,1.50],
    "number_observations_unique": 59525,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17
      },
      {
        "type": "I/SigI",
        "value": 3.70
      },
      {
        "type": "Completeness",
        "value": 91.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.73
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 3.3
        }
      ]
    }
  ]

}
  

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


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