Data quality metrics extracted from 1h3d.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": "1feb9bd585e3aee02a077d13ed320a30",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 133.645,
    "b": 133.645,
    "c": 114.118,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.650,2.700],
    "number_observations_unique": 10860,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05900
      },
      {
        "type": "I/SigI",
        "value": 18.0000
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.79600
        },
        {
          "type": "I/SigI",
          "value": 3.100
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    }
  ]

}
  

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


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