Data quality metrics extracted from 6xoh.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": "74fc0f623b023dfe9f5b07f8993039a3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.133,
    "b": 72.947,
    "c": 126.586,
    "alpha": 90.000,
    "beta": 92.933,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.004,2.226],
    "number_observations_unique": 50291,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 00.064
      },
      {
        "type": "I/SigI",
        "value": 18.48
      },
      {
        "type": "Completeness",
        "value": 97.02
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.23],
      "number_observations_unique": 4828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.664
        },
        {
          "type": "I/SigI",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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