Data quality metrics extracted from 2xv4.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": "0bd3f9dee2cd065e9f0d918d6d29898e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.54,
    "b": 69.92,
    "c": 75.97,
    "alpha": 90.00,
    "beta": 112.84,
    "gamma": 90.00
  },
  "wavelengths": [1.71000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.00,2.95],
    "number_observations_unique": 16477,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 20.61
      },
      {
        "type": "Completeness",
        "value": 91.9
      },
      {
        "type": "Redundancy",
        "value": 3.71
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,2.95],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 3.53
        },
        {
          "type": "Completeness",
          "value": 78.7
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    }
  ]

}
  

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


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