Data quality metrics extracted from 8amn.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": "639b66583888fd914d30518bda3fdf0e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 28.102,
    "b": 90.131,
    "c": 138.182,
    "alpha": 90.000,
    "beta": 91.394,
    "gamma": 90.000
  },
  "wavelengths": [0.91714],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.06,2.46],
    "number_observations_unique": 48753,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 14.36
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.46],
      "number_observations_unique": 7866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.893
        },
        {
          "type": "I/SigI",
          "value": 1.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    }
  ]

}
  

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


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