Data quality metrics extracted from 39jn.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": "eb10c14714d822b43b528ff2f2c67862",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 194.43,
    "b": 194.43,
    "c": 194.43,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.18050],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.16,2.73],
    "number_observations_unique": 63069,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.207
      },
      {
        "type": "I/SigI",
        "value": 21
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 36.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.73],
      "number_observations_unique": 2424,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.943
        },
        {
          "type": "I/SigI",
          "value": 1.66
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    }
  ]

}
  

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


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