Data quality metrics extracted from 3qxh.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": "3aa2eedfeee9c4f5da76d38ecfc05764",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.526,
    "b": 37.967,
    "c": 68.795,
    "alpha": 90.00,
    "beta": 101.15,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.36],
    "number_observations_unique": 43544,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 47.3
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.36],
      "number_observations_unique": 1735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 13.2
        },
        {
          "type": "Completeness",
          "value": 81.1
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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