Data quality metrics extracted from 9rfe.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": "3695bdd0ddd64cb9a05b93003dd3a699",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.22,
    "b": 66.02,
    "c": 70.86,
    "alpha": 115.280,
    "beta": 96.392,
    "gamma": 104.332
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.995,1.850],
    "number_observations_unique": 57348,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "R(meas)",
        "value": 0.065
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 14.4
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.898,1.850],
      "number_observations_unique": 3730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "R(meas)",
          "value": 0.504
        },
        {
          "type": "R(pim)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 84.7
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    }
  ]

}
  

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


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