Data quality metrics extracted from 4qbe.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": "69792a9874c264306d3e4b04d446497c",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 88.452,
    "b": 88.452,
    "c": 103.788,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.292],
    "number_observations_unique": 21339,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.292],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.48,2.38],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.59,2.48],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.73,2.59],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.90,2.73],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.12,2.90],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.44,3.12],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.93,3.44],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [4.95,3.93],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [50,4.95],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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