Data quality metrics extracted from 6aah.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": "3fa62ac5d005b0b96ab1c08b431359b3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.467,
    "b": 85.584,
    "c": 169.433,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.720,1.830],
    "number_observations_unique": 53035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06100
      },
      {
        "type": "I/SigI",
        "value": 13.5900
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 4.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.878,1.83],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43700
        },
        {
          "type": "Completeness",
          "value": 88.2
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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