Data quality metrics extracted from 5n5f.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": "5e6e6f8058d73973e60e55da778789a1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 91.629,
    "b": 92.652,
    "c": 119.291,
    "alpha": 90.00,
    "beta": 106.94,
    "gamma": 90.00
  },
  "wavelengths": [1.72000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.82,2.057],
    "number_observations_unique": 57293,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09437
      },
      {
        "type": "I/SigI",
        "value": 10.16
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.131,2.057],
      "number_observations_unique": 5570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5965
        },
        {
          "type": "I/SigI",
          "value": 2.37
        },
        {
          "type": "Completeness",
          "value": 94
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    }
  ]

}
  

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


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