Data quality metrics extracted from 5hts.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": "9a7e7fa124db39f85be2ad04a683c39f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 164.328,
    "b": 75.161,
    "c": 176.476,
    "alpha": 90.0,
    "beta": 100.3,
    "gamma": 90.0
  },
  "wavelengths": [0.95371],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.90,2.60],
    "number_observations_unique": 64379,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 14.4
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 4.0
        }
      ]
    }
  ]

}
  

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


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