Data quality metrics extracted from 2d4e.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": "ff65c475a62ea7534740a87258fefcff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 95.202,
    "b": 95.086,
    "c": 98.835,
    "alpha": 103.97,
    "beta": 116.11,
    "gamma": 104.44
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.10],
    "number_observations_unique": 156637,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 15258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.463
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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