Data quality metrics extracted from 2w3r.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": "a20469a5b03d28fcc1d090cfb42f05e6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.77,
    "b": 139.94,
    "c": 158.04,
    "alpha": 109.33,
    "beta": 106.15,
    "gamma": 101.05
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.03,2.70],
    "number_observations_unique": 183839,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 6.40
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 1.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.72,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.86
        },
        {
          "type": "I/SigI",
          "value": 0.84
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 1.97
        }
      ]
    }
  ]

}
  

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


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