Data quality metrics extracted from 2pdc.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": "75a2a9dca949db11c3d0ae2403abd67a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.46,
    "b": 47.14,
    "c": 47.22,
    "alpha": 76.08,
    "beta": 76.26,
    "gamma": 67.64
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.65],
    "number_observations_unique": 28734,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 39.7
      },
      {
        "type": "Completeness",
        "value": 77.1
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "number_observations_unique": 1347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 19.2
        },
        {
          "type": "Completeness",
          "value": 72.5
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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