Data quality metrics extracted from 1fw9.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": "03133e1e89f066f6b3d7f0a21716fee9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.693,
    "b": 33.859,
    "c": 39.891,
    "alpha": 67.37,
    "beta": 87.37,
    "gamma": 65.26
  },
  "wavelengths": [0.74690],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [8.0,1.4],
    "number_observations_unique": 63699,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0700000
      },
      {
        "type": "I/SigI",
        "value": 21.0
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0700000
        },
        {
          "type": "Completeness",
          "value": 95
        },
        {
          "type": "Redundancy",
          "value": 4.3
        }
      ]
    }
  ]

}
  

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


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