Data quality metrics extracted from 3qf1.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": "46337f7205ffc0b146beaf105f3edec8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.15,
    "b": 80.18,
    "c": 76.73,
    "alpha": 90.00,
    "beta": 102.37,
    "gamma": 90.00
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.15,2.60],
    "number_observations_unique": 19796,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 86.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.76,2.6],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 89.2
        }
      ]
    }
  ]

}
  

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


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