Data quality metrics extracted from 4ct3.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": "1a77b4edc210576feede21c2a49e6d02",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.02,
    "b": 61.52,
    "c": 72.80,
    "alpha": 91.80,
    "beta": 98.73,
    "gamma": 90.01
  },
  "wavelengths": [0.83520],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.92,1.69],
    "number_observations_unique": 48498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 11.80
      },
      {
        "type": "Completeness",
        "value": 64.7
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.62
        },
        {
          "type": "I/SigI",
          "value": 1.80
        },
        {
          "type": "Completeness",
          "value": 10.4
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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