Data quality metrics extracted from 2fx3.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": "9b5cd57aa53294cc2b5787c47e2a349e",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 69.55,
    "b": 69.55,
    "c": 169.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.232,3.400],
    "number_observations_unique": 6312,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "I/SigI",
        "value": 3.200
      },
      {
        "type": "Completeness",
        "value": 90.200
      },
      {
        "type": "Redundancy",
        "value": 6.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.58,3.40],
      "number_observations": 5800,
      "number_observations_unique": 844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 84.9
        },
        {
          "type": "Redundancy",
          "value": 6.90
        }
      ]
    }
  ]

}
  

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


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