Data quality metrics extracted from 2xwb.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": "78fa03f5427bf07f8255aead51a51920",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 108.275,
    "b": 135.775,
    "c": 149.975,
    "alpha": 95.47,
    "beta": 110.69,
    "gamma": 113.39
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.420,3.500],
    "number_observations_unique": 88224,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14000
      },
      {
        "type": "I/SigI",
        "value": 8.8000
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.69,3.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.63000
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 3.30
        }
      ]
    }
  ]

}
  

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


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