Data quality metrics extracted from 24pu.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": "558a0a2da3145c0f913866a7f54a36d3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 59.527,
    "b": 90.452,
    "c": 92.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.48,2.4],
    "number_observations_unique": 37521,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.155
      },
      {
        "type": "R(meas)",
        "value": 0.1685
      },
      {
        "type": "R(pim)",
        "value": 0.0653
      },
      {
        "type": "I/SigI",
        "value": 8.87
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 1882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.516
        },
        {
          "type": "R(meas)",
          "value": 1.676
        },
        {
          "type": "R(pim)",
          "value": 0.6998
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "Completeness",
          "value": 95.34
        },
        {
          "type": "Redundancy",
          "value": 5.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.428
        }
      ]
    }
  ]

}
  

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


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