Data quality metrics extracted from 5n5q.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": "a0f9a9139fd821f8569ce31201603e42",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 42.73,
    "b": 81.81,
    "c": 69.46,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.73915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.53],
    "number_observations_unique": 15593,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 8.28
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 13.21
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.68,2.53],
      "number_observations_unique": 2460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.98
        },
        {
          "type": "I/SigI",
          "value": 0.83
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 12.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.3
        }
      ]
    }
  ]

}
  

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


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