Data quality metrics extracted from 2qxi.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": "1822d5cd5adcf9f2487d0a6c569d2514",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.254,
    "b": 56.953,
    "c": 45.533,
    "alpha": 90.00,
    "beta": 101.37,
    "gamma": 90.00
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.640,0.999],
    "number_observations_unique": 97071,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 9.700
      },
      {
        "type": "Completeness",
        "value": 94.000
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.05,1.00],
      "number_observations": 38559,
      "number_observations_unique": 13473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 89.60
        },
        {
          "type": "Redundancy",
          "value": 2.90
        }
      ]
    }
  ]

}
  

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


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