Data quality metrics extracted from 1bpw.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": "f62f0dea0264ff6ed9b01d7c97ec7cc3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 85.40,
    "b": 86.57,
    "c": 89.81,
    "alpha": 105.32,
    "beta": 113.29,
    "gamma": 98.16
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.00,2.80],
    "number_observations_unique": 49784,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 12.0000000
      },
      {
        "type": "I/SigI",
        "value": 5.0
      },
      {
        "type": "Completeness",
        "value": 92.6
      },
      {
        "type": "Redundancy",
        "value": 1.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.80],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 88.5
        }
      ]
    }
  ]

}
  

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


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