Data quality metrics extracted from 1fsr.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": "fdb6da787f13e0ac14f6c0167c4be77f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.3,
    "b": 43.8,
    "c": 67.6,
    "alpha": 86.7,
    "beta": 90.0,
    "gamma": 75.6
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2],
    "number_observations_unique": 22676,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0850000
      },
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 71.5
      },
      {
        "type": "Redundancy",
        "value": 1.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3710000
        },
        {
          "type": "Completeness",
          "value": 60.1
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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


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