Data quality metrics extracted from 1ff9.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": "69d9abd004d4f996266c7acadba7c6f3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.986,
    "b": 56.584,
    "c": 74.299,
    "alpha": 90.00,
    "beta": 111.09,
    "gamma": 90.00
  },
  "wavelengths": [0.90580],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.91,2.00],
    "number_observations_unique": 578167,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0530000
      },
      {
        "type": "I/SigI",
        "value": 25.5
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 19.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations_unique": 1994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3300000
        },
        {
          "type": "Completeness",
          "value": 98.3
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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