Data quality metrics extracted from 5akw.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": "091c1a3fef9678c8c6fb7253b5f3fa0f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 90.91,
    "b": 98.31,
    "c": 119.25,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.07],
    "number_observations_unique": 32852,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17
      },
      {
        "type": "I/SigI",
        "value": 9.50
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.07],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.00
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.99
        }
      ]
    }
  ]

}
  

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


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