Data quality metrics extracted from 7dl3.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": "f767bdaf2ec528096fa05f3b486abafd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 109.594,
    "b": 122.037,
    "c": 114.645,
    "alpha": 90.000,
    "beta": 94.847,
    "gamma": 90.000
  },
  "wavelengths": [0.97917],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.846],
    "number_observations_unique": 126514,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 17.273
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.86],
      "number_observations_unique": 6293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.116
        },
        {
          "type": "R(pim)",
          "value": 0.503
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 5.6
        }
      ]
    }
  ]

}
  

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


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