Data quality metrics extracted from 4akh.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": "d9a4912c09a3f272dbd868ea17ce1409",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 175.56,
    "b": 118.13,
    "c": 201.02,
    "alpha": 90.00,
    "beta": 90.29,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.30,3.60],
    "number_observations_unique": 94930,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 7.60
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 5.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.94,3.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69
        },
        {
          "type": "I/SigI",
          "value": 2.20
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    }
  ]

}
  

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


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