Data quality metrics extracted from 9fsa.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": "5f14b09387f37112e80dc3ed9ab8b1e4",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 46.340,
    "b": 53.268,
    "c": 55.627,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.34140],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.34,2.05],
    "number_observations_unique": 4977,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.332
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 23.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.05],
      "number_observations_unique": 291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.80
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 70.1
        },
        {
          "type": "Redundancy",
          "value": 15.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.65
        }
      ]
    }
  ]

}
  

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


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