Data quality metrics extracted from 2x4a.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": "41a6df81d3402c18a5166ac0eef845a8",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 79.17,
    "b": 79.17,
    "c": 127.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.000,2.500],
    "number_observations_unique": 15561,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 12.6000
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 4.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23000
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 76.2
        },
        {
          "type": "Redundancy",
          "value": 4.10
        }
      ]
    }
  ]

}
  

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


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