Data quality metrics extracted from 8f46.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": "c0494596c74177863de58179427b8d39",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.989,
    "b": 98.240,
    "c": 58.625,
    "alpha": 90.0,
    "beta": 107.8,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.24,1.50],
    "number_observations": 557362,
    "number_observations_unique": 94446,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.50],
      "number_observations": 42908,
      "number_observations_unique": 6934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.047
        },
        {
          "type": "R(meas)",
          "value": 1.143
        },
        {
          "type": "R(pim)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    }
  ]

}
  

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


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