Data quality metrics extracted from 23al.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "364a43d902ab771fe89eb21a8be92cc9",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 98.770,
    "b": 98.770,
    "c": 152.983,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.24,2.8],
    "number_observations_unique": 18973,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1879
      },
      {
        "type": "R(meas)",
        "value": 0.2006
      },
      {
        "type": "R(pim)",
        "value": 0.06878
      },
      {
        "type": "I/SigI",
        "value": 14.71
      },
      {
        "type": "Completeness",
        "value": 98.04
      },
      {
        "type": "Redundancy",
        "value": 8.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "number_observations_unique": 1836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6019
        },
        {
          "type": "R(meas)",
          "value": 0.6369
        },
        {
          "type": "R(pim)",
          "value": 0.2127
        },
        {
          "type": "Completeness",
          "value": 97.56
        },
        {
          "type": "Redundancy",
          "value": 8.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    }
  ]

}
  

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


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