Data quality metrics extracted from 5ndu.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": "dd295fa48a2df17529c4e6bc5f0a6ed1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 136.15,
    "b": 34.57,
    "c": 44.24,
    "alpha": 90.00,
    "beta": 96.93,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.9378,1.42],
    "number_observations_unique": 38981,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 11.36
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.42],
      "number_observations_unique": 5881,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.714
        },
        {
          "type": "I/SigI",
          "value": 1.25
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.593
        }
      ]
    }
  ]

}
  

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


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