Data quality metrics extracted from 5l4v.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": "e457bb5f4fb7b8774cd5fe5214a3f9d6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.94,
    "b": 95.34,
    "c": 70.73,
    "alpha": 90.00,
    "beta": 105.02,
    "gamma": 90.00
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.67,2.99],
    "number_observations_unique": 11564,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.301
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 4.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.17,2.99],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.13
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 4.2
        }
      ]
    }
  ]

}
  

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


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