Data quality metrics extracted from 2d42.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": "ff80fe9295a2b33479e9efd8ec44425a",
  "space_group_name": "P 31 1 2",
  "unit_cell": {
    "a": 95.380,
    "b": 95.380,
    "c": 130.727,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000,1.00770,1.00820,1.00880,0.99200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.67,2.07],
    "number_observations_unique": 41642,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 32.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 11.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.07],
      "number_observations_unique": 6001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 9.6
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 10.9
        }
      ]
    }
  ]

}
  

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


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