Data quality metrics extracted from 6dl8.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": "dcdf60d6bb0279b6f6b9f8cb7dc5c48e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.235,
    "b": 73.695,
    "c": 76.848,
    "alpha": 62.91,
    "beta": 88.86,
    "gamma": 62.07
  },
  "wavelengths": [0.97750],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.53,3.80],
    "number_observations_unique": 11641,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 10.1
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.01,3.80],
      "number_observations_unique": 1661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        }
      ]
    }
  ]

}
  

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


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