Data quality metrics extracted from 7thw.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": "715f7a20dddd1dc4a40053256ad2667c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.861,
    "b": 123.099,
    "c": 54.183,
    "alpha": 90.000,
    "beta": 89.965,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.2],
    "number_observations_unique": 29832,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 18.5
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 4.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 1116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.776
        },
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 72.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    }
  ]

}
  

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


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