Data quality metrics extracted from 4opj.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": "6a8dee21466f4a0d2690f59a960a06d4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.387,
    "b": 47.501,
    "c": 55.216,
    "alpha": 100.87,
    "beta": 101.77,
    "gamma": 89.75
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.054,1.541],
    "number_observations_unique": 56542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 19.52
      },
      {
        "type": "Completeness",
        "value": 92.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.541],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 86.6
        }
      ]
    }
  ]

}
  

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


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