Data quality metrics extracted from 9fqn.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": "7183a5de1ff65e58eefec154096025a6",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 142.83,
    "b": 142.83,
    "c": 142.83,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.04390],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.17,2.11],
    "number_observations_unique": 27894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08128
      },
      {
        "type": "R(meas)",
        "value": 0.08233
      },
      {
        "type": "R(pim)",
        "value": 0.01306
      },
      {
        "type": "I/SigI",
        "value": 35.36
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 40.1
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.11],
      "number_observations_unique": 2749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.374
        },
        {
          "type": "R(meas)",
          "value": 1.393
        },
        {
          "type": "R(pim)",
          "value": 0.2232
        },
        {
          "type": "I/SigI",
          "value": 2.78
        },
        {
          "type": "Completeness",
          "value": 98.6
        },
        {
          "type": "Redundancy",
          "value": 38.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    }
  ]

}
  

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


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