Data quality metrics extracted from 4yp5.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": "2b54087ec79fd7f2b2e53f404a6428cf",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 124.586,
    "b": 124.586,
    "c": 111.959,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.21],
    "number_observations_unique": 45535,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 15.68
      },
      {
        "type": "Completeness",
        "value": 89.3
      },
      {
        "type": "Redundancy",
        "value": 1.27
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 4.84
        },
        {
          "type": "Completeness",
          "value": 87.0
        },
        {
          "type": "Redundancy",
          "value": 1.15
        }
      ]
    }
  ]

}
  

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


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