Data quality metrics extracted from 1vjn.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": "a24cac201438f8ef0d7d9af1383264a8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.147,
    "b": 45.723,
    "c": 63.491,
    "alpha": 73.66,
    "beta": 89.25,
    "gamma": 64.96
  },
  "wavelengths": [0.97944,0.97915,0.89840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.00],
    "number_observations_unique": 26349,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 10.38
      },
      {
        "type": "Completeness",
        "value": 93.60
      },
      {
        "type": "Redundancy",
        "value": 2.48
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations_unique": 2099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.441
        },
        {
          "type": "I/SigI",
          "value": 2.03
        },
        {
          "type": "Completeness",
          "value": 73.47
        },
        {
          "type": "Redundancy",
          "value": 2.19
        }
      ]
    }
  ]

}
  

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


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