Data quality metrics extracted from 5l46.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": "092797ec3429a5488cd9b944bea33aac",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.377,
    "b": 119.868,
    "c": 86.466,
    "alpha": 90.00,
    "beta": 92.58,
    "gamma": 90.00
  },
  "wavelengths": [0.97200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.651,3.09],
    "number_observations_unique": 30495,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2058
      },
      {
        "type": "I/SigI",
        "value": 4.81
      },
      {
        "type": "Completeness",
        "value": 97.70
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.958
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.2,3.09],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6573
        },
        {
          "type": "I/SigI",
          "value": 1.53
        },
        {
          "type": "Completeness",
          "value": 93.81
        },
        {
          "type": "Redundancy",
          "value": 2.7
        }
      ]
    }
  ]

}
  

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


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