Data quality metrics extracted from 2w80.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": "16863e1cbedd5463a290b6b3a625307f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.704,
    "b": 93.847,
    "c": 99.720,
    "alpha": 80.07,
    "beta": 80.18,
    "gamma": 84.81
  },
  "wavelengths": [0.95230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.00,2.35],
    "number_observations_unique": 64754,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 14.20
      },
      {
        "type": "Completeness",
        "value": 91.3
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.41,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 3.10
        },
        {
          "type": "Completeness",
          "value": 80.9
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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