Data quality metrics extracted from 4g5e.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": "53cd457de6b4b091cab90a88473d797b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 107.072,
    "b": 180.050,
    "c": 110.197,
    "alpha": 90.00,
    "beta": 97.87,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.5,2.0],
    "number_observations_unique": 126447,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.08,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 75.5
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.9
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    }
  ]

}
  

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


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