Data quality metrics extracted from 2vdw.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": "39a0b1f8f7f552c9a7ddc73d580d96f6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.89,
    "b": 61.02,
    "c": 225.78,
    "alpha": 94.22,
    "beta": 92.95,
    "gamma": 108.26
  },
  "wavelengths": [0.97626],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.40,2.70],
    "number_observations_unique": 75699,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 7.31
      },
      {
        "type": "Completeness",
        "value": 89.7
      },
      {
        "type": "Redundancy",
        "value": 1.87
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "Completeness",
          "value": 79.6
        },
        {
          "type": "Redundancy",
          "value": 1.83
        }
      ]
    }
  ]

}
  

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


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