Data quality metrics extracted from 9von.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "062868eb2892d6de32160ef06b646d49",
  "space_group_name": "P 2 3",
  "unit_cell": {
    "a": 181.21,
    "b": 181.21,
    "c": 181.21,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.43,2.50],
    "number_observations": 1407429,
    "number_observations_unique": 68568,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.418
      },
      {
        "type": "R(meas)",
        "value": 0.428
      },
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 20.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.50],
      "number_observations": 95747,
      "number_observations_unique": 4595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.237
        },
        {
          "type": "R(meas)",
          "value": 3.318
        },
        {
          "type": "R(pim)",
          "value": 0.725
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 20.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.484
        }
      ]
    }
  ]

}
  

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


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