Data quality metrics extracted from 3h4x.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": "2bf09694bf57f2923c6515d8985652c8",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 51.968,
    "b": 154.819,
    "c": 41.324,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.82653],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.99,1.23],
    "number_observations_unique": 97776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 8.2141
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 7.28
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.30,1.23],
      "number_observations": 100339,
      "number_observations_unique": 14115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.11
        }
      ]
    }
  ]

}
  

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


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