Data quality metrics extracted from 2dum.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": "447e0f15622f4df74c0b5981917a4f64",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 120.786,
    "b": 120.786,
    "c": 127.098,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97921,0.97950,0.96400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.0,2.75],
    "number_observations_unique": 20726,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 14.5675
      },
      {
        "type": "Completeness",
        "value": 87.16
      },
      {
        "type": "Redundancy",
        "value": 5.83957
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.75],
      "number_observations_unique": 559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 1.86869
        },
        {
          "type": "Completeness",
          "value": 30.88
        }
      ]
    }
  ]

}
  

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


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