Data quality metrics extracted from 3zxh.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": "7558d80a9c818187a9023510676b0acb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 134.904,
    "b": 36.141,
    "c": 95.069,
    "alpha": 90.00,
    "beta": 131.02,
    "gamma": 90.00
  },
  "wavelengths": [1.00030],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [9.00,1.30],
    "number_observations_unique": 84772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 11.60
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    }
  ]

}
  

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


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