Data quality metrics extracted from 7wnp.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": "897aa1d605b14fbf90f7a177ee2844cd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 157.206,
    "b": 61.979,
    "c": 92.447,
    "alpha": 90.00,
    "beta": 112.06,
    "gamma": 90.00
  },
  "wavelengths": [3.00000,5.70000,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.94,1.72],
    "number_observations_unique": 76306,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.1249
      },
      {
        "type": "I/SigI",
        "value": 4.99
      },
      {
        "type": "Completeness",
        "value": 87.4
      },
      {
        "type": "Redundancy",
        "value": 2.6639
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.72],
      "number_observations_unique": 25457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        }
      ]
    }
  ]

}
  

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


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