Data quality metrics extracted from 8frb.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": "13497ec29fac97c7240d75fc623931f6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 91.926,
    "b": 106.963,
    "c": 146.492,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11578],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.29,1.70],
    "number_observations_unique": 158679,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1111
      },
      {
        "type": "R(meas)",
        "value": 0.121
      },
      {
        "type": "R(pim)",
        "value": 0.04745
      },
      {
        "type": "I/SigI",
        "value": 9.09
      },
      {
        "type": "Completeness",
        "value": 99.87
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.761,1.7],
      "number_observations_unique": 15679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5593
        },
        {
          "type": "R(meas)",
          "value": 0.61
        },
        {
          "type": "R(pim)",
          "value": 0.2411
        },
        {
          "type": "I/SigI",
          "value": 3.10
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    }
  ]

}
  

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


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