Data quality metrics extracted from 1qa6.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": "d7c49e1699d9f9ca703017c8a5e9ea26",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 150.675,
    "b": 150.675,
    "c": 63.841,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.13951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.800],
    "number_observations_unique": 17542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0550000
      },
      {
        "type": "I/SigI",
        "value": 23.3000
      },
      {
        "type": "Completeness",
        "value": 94.500
      },
      {
        "type": "Redundancy",
        "value": 5.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.930,2.800],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2700000
        },
        {
          "type": "Completeness",
          "value": 88.70
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    }
  ]

}
  

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


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