Data quality metrics extracted from 1qs5.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": "e27ee89dac8c19a350e81551b02cf777",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 60.949,
    "b": 60.949,
    "c": 96.999,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.5,2.5],
    "number_observations_unique": 7507,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0750000
      },
      {
        "type": "I/SigI",
        "value": 6.039
      },
      {
        "type": "Completeness",
        "value": 89.2
      },
      {
        "type": "Redundancy",
        "value": 4.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.76,2.5],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1850000
        },
        {
          "type": "Completeness",
          "value": 69.97
        },
        {
          "type": "Redundancy",
          "value": 2.49
        }
      ]
    }
  ]

}
  

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


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