Data quality metrics extracted from 5ylu.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": "8d8bb10a80a8c3f9265f8152916e280a",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 104.82,
    "b": 104.82,
    "c": 367.08,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.18,2.8],
    "number_observations_unique": 58652,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1201
      },
      {
        "type": "R(pim)",
        "value": 0.05748
      },
      {
        "type": "I/SigI",
        "value": 11.04
      },
      {
        "type": "Completeness",
        "value": 87.51
      },
      {
        "type": "Redundancy",
        "value": 5.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "number_observations_unique": 31309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.689
        },
        {
          "type": "R(pim)",
          "value": 0.7873
        },
        {
          "type": "I/SigI",
          "value": 1.54
        },
        {
          "type": "Completeness",
          "value": 38.17
        },
        {
          "type": "Redundancy",
          "value": 5.5
        }
      ]
    }
  ]

}
  

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


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