Data quality metrics extracted from 8agk.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": "c9febf0a58ca4d40dc8b1a8514dba2cb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.307,
    "b": 83.636,
    "c": 58.313,
    "alpha": 90.000,
    "beta": 98.659,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.65,1.5],
    "number_observations_unique": 67218,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 13.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.5],
      "number_observations_unique": 3357,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 2.241
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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