Data quality metrics extracted from 31vi.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "bfa3779d8fb49e230a12d3b3740dd1f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.742,
    "b": 44.532,
    "c": 46.209,
    "alpha": 103.94,
    "beta": 101.24,
    "gamma": 103.11
  },
  "wavelengths": [0.80200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,0.74],
    "number_observations_unique": 358352,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 27
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.75,0.74],
      "number_observations_unique": 17503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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