Data quality metrics extracted from 4fs8.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": "2b0d25b4c633ff416900bdd9589af69f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 84.750,
    "b": 47.198,
    "c": 101.677,
    "alpha": 90.00,
    "beta": 115.67,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.78],
    "number_observations_unique": 33151,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.78],
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.84],
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 4
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.92],
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.00],
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [2.224,2.11],
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    }
  ]

}
  

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


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