Data quality metrics extracted from 1w8f.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": "f46ab4b71c1027c1817df3dbe084bcdf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.015,
    "b": 48.352,
    "c": 52.472,
    "alpha": 85.35,
    "beta": 80.05,
    "gamma": 65.60
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [14.510,1.050],
    "number_observations_unique": 180957,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07000
      },
      {
        "type": "I/SigI",
        "value": 7.0000
      },
      {
        "type": "Completeness",
        "value": 93.3
      },
      {
        "type": "Redundancy",
        "value": 4.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.08,1.05],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32000
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 89.5
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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