Data quality metrics extracted from 4qxe.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": "4293489e9e54f4eef94dc62e78d70906",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 173.759,
    "b": 173.759,
    "c": 173.759,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.2],
    "number_observations_unique": 44070,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 28.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.29,2.2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69.61
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 10.02
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 10.08
        }
      ]
    },
    {
      "resolution_limits": [50,4.74],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 10.29
        }
      ]
    }
  ]

}
  

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


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