Data quality metrics extracted from 3vh8.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": "c2fda4a7a8025c8c232097ee7c1c58cd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.248,
    "b": 66.374,
    "c": 93.361,
    "alpha": 100.56,
    "beta": 92.83,
    "gamma": 101.56
  },
  "wavelengths": [0.95360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.8],
    "number_observations_unique": 136837,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.257
      },
      {
        "type": "I/SigI",
        "value": 20.8
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 87.8
        },
        {
          "type": "Redundancy",
          "value": 3.0
        }
      ]
    }
  ]

}
  

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


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