Data quality metrics extracted from 5u17.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": "cc96700ed2d9ccea6c7925d855d275be",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 215.288,
    "b": 69.740,
    "c": 142.359,
    "alpha": 90.00,
    "beta": 104.02,
    "gamma": 90.00
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.346,2.150],
    "number_observations": 489218,
    "number_observations_unique": 111804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 8.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 4.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.190,2.150],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.914
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.661
        }
      ]
    }
  ]

}
  

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


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