Data quality metrics extracted from 3o4g.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": "cca3fa207cea564df62a6dfe378546c4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.212,
    "b": 97.016,
    "c": 109.494,
    "alpha": 89.01,
    "beta": 109.20,
    "gamma": 100.21
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.5],
    "number_observations_unique": 88675,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 12.55
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 1.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.5],
      "number_observations_unique": 6634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "I/SigI",
          "value": 2.01
        },
        {
          "type": "Completeness",
          "value": 94.9
        },
        {
          "type": "Redundancy",
          "value": 1.99
        }
      ]
    }
  ]

}
  

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


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