Data quality metrics extracted from 3hv4.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": "b8c6f8aee0def1c088d7d4f7cd0d7488",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.64,
    "b": 74.06,
    "c": 72.00,
    "alpha": 90.0,
    "beta": 93.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97703],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.600],
    "number_observations_unique": 22870,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "I/SigI",
        "value": 19.13
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.50
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.70,2.60],
      "number_observations": 8513,
      "number_observations_unique": 2455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.499
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 99.30
        },
        {
          "type": "Redundancy",
          "value": 3.49
        }
      ]
    }
  ]

}
  

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


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