Data quality metrics extracted from 5n3e.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": "4e0eac566403393bf0d50f4c5eeb3fba",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.631,
    "b": 72.297,
    "c": 108.576,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.53],
    "number_observations_unique": 69062,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 23.19
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 7.13
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.53],
      "number_observations_unique": 10849,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.547
        },
        {
          "type": "I/SigI",
          "value": 3.46
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 7.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.91
        }
      ]
    }
  ]

}
  

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


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