Data quality metrics extracted from 7xwk.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": "12155eb87f049962fc6055d9546a5a0f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 85.333,
    "b": 65.090,
    "c": 89.494,
    "alpha": 90.00,
    "beta": 107.37,
    "gamma": 90.00
  },
  "wavelengths": [1.34138],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.28,2.12],
    "number_observations_unique": 53451,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 0.4457
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.58
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.12],
      "number_observations_unique": 2199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4457
        }
      ]
    }
  ]

}
  

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


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