Data quality metrics extracted from 2wpz.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": "27b8082a1c8866eba18dfd3a3cf68d32",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 25.38,
    "b": 25.44,
    "c": 33.70,
    "alpha": 83.98,
    "beta": 84.86,
    "gamma": 78.55
  },
  "wavelengths": [1.00900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,1.25],
    "number_observations_unique": 20616,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 10.80
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 87.4
        },
        {
          "type": "Redundancy",
          "value": 1.98
        }
      ]
    }
  ]

}
  

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


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