Data quality metrics extracted from 6e7d.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": "805b117e61ef57db558438950d7f66ea",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.930,
    "b": 122.069,
    "c": 131.561,
    "alpha": 73.12,
    "beta": 82.08,
    "gamma": 84.46
  },
  "wavelengths": [0.94360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.1,2.9],
    "number_observations_unique": 80841,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.176
      },
      {
        "type": "R(pim)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 2.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.06,2.9],
      "number_observations_unique": 12101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.545
        },
        {
          "type": "R(pim)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 95.4
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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