Data quality metrics extracted from 5qaw.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": "a919263d4c1741c0db2f61a8d17a8dfb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 90.501,
    "b": 109.053,
    "c": 124.636,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.70,2.20],
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1047
      },
      {
        "type": "R(meas)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 9.13
      },
      {
        "type": "Completeness",
        "value": 99.36
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.20],
      "number_observations_unique": 26270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6804
        },
        {
          "type": "R(meas)",
          "value": 0.78
        },
        {
          "type": "I/SigI",
          "value": 2.05
        },
        {
          "type": "Redundancy",
          "value": 4.2
        }
      ]
    }
  ]

}
  

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


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