Data quality metrics extracted from 4bl5.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": "578c4ccb5e1eb31d0a5d1a2e4c364e32",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 90.407,
    "b": 90.478,
    "c": 147.518,
    "alpha": 72.54,
    "beta": 72.64,
    "gamma": 60.14
  },
  "wavelengths": [0.96110],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.64,2.60],
    "number_observations_unique": 113998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 61.20
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.15
        },
        {
          "type": "I/SigI",
          "value": 3.30
        },
        {
          "type": "Completeness",
          "value": 78.1
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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