Data quality metrics extracted from 2w72.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": "317a432380971c51b9e9f5b11e77f5a0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.957,
    "b": 82.447,
    "c": 53.531,
    "alpha": 90.0,
    "beta": 99.6,
    "gamma": 90.0
  },
  "wavelengths": [0.84530],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.60,1.07],
    "number_observations_unique": 250223,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 25.80
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.12,1.07],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 2.50
        },
        {
          "type": "Completeness",
          "value": 90.2
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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