Data quality metrics extracted from 9bl4.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": "3c174e1eb39ee658673b142fa344f788",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.936,
    "b": 60.537,
    "c": 64.900,
    "alpha": 95.368,
    "beta": 96.497,
    "gamma": 106.021
  },
  "wavelengths": [0.95366],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.63,1.75],
    "number_observations_unique": 63547,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 93.1
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "number_observations_unique": 3559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.650
        }
      ]
    }
  ]

}
  

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


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