Data quality metrics extracted from 2wya.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": "8d4d6f52027c344159fe9abf3b37c584",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.410,
    "b": 83.514,
    "c": 101.442,
    "alpha": 100.00,
    "beta": 108.08,
    "gamma": 96.30
  },
  "wavelengths": [0.99890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.00,1.70],
    "number_observations_unique": 212827,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 7.10
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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