Data quality metrics extracted from 3g5w.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": "d31e174fe6dfbf0b847f0a086fa7babf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 76.140,
    "b": 76.254,
    "c": 105.145,
    "alpha": 81.48,
    "beta": 73.38,
    "gamma": 61.84
  },
  "wavelengths": [0.91933,1.38110,1.31890,1.34760],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.5,1.9],
    "number_observations_unique": 153165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 16.9
      },
      {
        "type": "Redundancy",
        "value": 24.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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