Data quality metrics extracted from 5ud6.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": "1fc9a52ec7c96b18eb5a028c0302d811",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.63,
    "b": 74.70,
    "c": 97.55,
    "alpha": 90.00,
    "beta": 103.31,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.9300,2.400],
    "number_observations": 309893,
    "number_observations_unique": 41728,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.207
      },
      {
        "type": "I/SigI",
        "value": 10.000
      },
      {
        "type": "Completeness",
        "value": 93.200
      },
      {
        "type": "Redundancy",
        "value": 7.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.490,2.400],
      "number_observations": 33668,
      "number_observations_unique": 4475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.161
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 7.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    }
  ]

}
  

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


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