Data quality metrics extracted from 2x8s.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": "b1dd57cc75d7d6cbf8133ece3f5d9de7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.950,
    "b": 57.985,
    "c": 85.595,
    "alpha": 96.14,
    "beta": 91.77,
    "gamma": 117.34
  },
  "wavelengths": [1.06725],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.80,1.50],
    "number_observations_unique": 133640,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "Completeness",
          "value": 92.7
        },
        {
          "type": "Redundancy",
          "value": 2.00
        }
      ]
    }
  ]

}
  

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


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