Data quality metrics extracted from 1qoa.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": "b4b4014b1c6f27f7d215a754a43f902e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 37.73,
    "b": 38.23,
    "c": 148.16,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.,1.7],
    "number_observations_unique": 20715,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0290000
      },
      {
        "type": "I/SigI",
        "value": 27.8
      },
      {
        "type": "Completeness",
        "value": 84.7
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1050000
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
        "value": 66.0
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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