Data quality metrics extracted from 5vlr.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": "2e6e42548df0ffcf27639c2e372f72f8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 90.847,
    "b": 108.579,
    "c": 142.734,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.39,2.80],
    "number_observations_unique": 34160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0340
      },
      {
        "type": "I/SigI",
        "value": 22.27
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,2.80],
      "number_observations_unique": 7593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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