Data quality metrics extracted from 5goc.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": "e3d537d09565efbf7d6405bf907ff16b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.523,
    "b": 26.733,
    "c": 43.768,
    "alpha": 75.17,
    "beta": 76.00,
    "gamma": 80.96
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.71,1.733],
    "number_observations_unique": 7987,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 8.43
      },
      {
        "type": "Completeness",
        "value": 69
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.73],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.176
        },
        {
          "type": "Redundancy",
          "value": 1.30
        }
      ]
    }
  ]

}
  

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


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