Data quality metrics extracted from 1qfl.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": "c232de4980c9dcd04ecb1554e19f8ce9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.459,
    "b": 78.864,
    "c": 149.745,
    "alpha": 90.00,
    "beta": 93.43,
    "gamma": 90.00
  },
  "wavelengths": [1.20000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.03],
    "number_observations_unique": 130872,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 8.4000000
      },
      {
        "type": "I/SigI",
        "value": 7
      },
      {
        "type": "Completeness",
        "value": 93
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.03],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 13.0000000
        },
        {
          "type": "I/SigI",
          "value": 5
        },
        {
          "type": "Completeness",
          "value": 77
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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