Data quality metrics extracted from 7ond.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": "298aa6a0bb510d151eaf360682a3c19d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.586,
    "b": 68.558,
    "c": 81.179,
    "alpha": 90.00,
    "beta": 98.57,
    "gamma": 90.00
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.1,1.45],
    "number_observations_unique": 90750,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06203
      },
      {
        "type": "I/SigI",
        "value": 18.68
      },
      {
        "type": "Completeness",
        "value": 99.24
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.502,1.45],
      "number_observations_unique": 8968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3734
        },
        {
          "type": "R(meas)",
          "value": 0.4031
        },
        {
          "type": "R(pim)",
          "value": 0.1506
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    }
  ]

}
  

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


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