Data quality metrics extracted from 5x1f.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": "952ac118a3e2162f1b924f3eda6e2171",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 184.806,
    "b": 208.488,
    "c": 177.885,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.23970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.00,2.20],
    "number_observations_unique": 335213,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1278
      },
      {
        "type": "I/SigI",
        "value": 15.27
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 105.91
      },
      {
        "type": "CC(1/2)",
        "value": 0.9635
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 16601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2296
        },
        {
          "type": "I/SigI",
          "value": 2.98
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 26.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.8250
        }
      ]
    }
  ]

}
  

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


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