Data quality metrics extracted from 5d4w.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": "9edfc45b39429fcb58e31d8f571c2fc7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 144.920,
    "b": 93.170,
    "c": 144.416,
    "alpha": 90.00,
    "beta": 119.72,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.583,3.7],
    "number_observations_unique": 35560,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.192
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 5.3
      },
      {
        "type": "Completeness",
        "value": 98.65
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.8,3.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.624
        },
        {
          "type": "R(pim)",
          "value": 1.121
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 2.9
        }
      ]
    }
  ]

}
  

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


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