Data quality metrics extracted from 3vps.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": "a5350a75d7e70329bb2859bf9e191bcc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.453,
    "b": 51.061,
    "c": 67.804,
    "alpha": 98.13,
    "beta": 106.65,
    "gamma": 94.36
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.26,1.90],
    "number_observations_unique": 42667,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.18782
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.949,1.900],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 98.55
        }
      ]
    }
  ]

}
  

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


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