Data quality metrics extracted from 6h6h.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": "b77a18ed01d2f5282a767bb9c02c3b3e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.41,
    "b": 70.27,
    "c": 87.05,
    "alpha": 83.98,
    "beta": 86.90,
    "gamma": 81.75
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.4],
    "number_observations_unique": 42580,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57
        }
      ]
    }
  ]

}
  

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


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