Data quality metrics extracted from 8um5.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": "ec6672ca1bd0d6722e471804fb77b135",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.643,
    "b": 82.266,
    "c": 59.749,
    "alpha": 90.00,
    "beta": 108.55,
    "gamma": 90.00
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.87,1.86],
    "number_observations_unique": 36968,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06535
      },
      {
        "type": "R(meas)",
        "value": 0.07319
      },
      {
        "type": "R(pim)",
        "value": 0.03248
      },
      {
        "type": "I/SigI",
        "value": 15.99
      },
      {
        "type": "Completeness",
        "value": 98.35
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.927,1.861],
      "number_observations_unique": 16154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6135
        },
        {
          "type": "R(meas)",
          "value": 0.6893
        },
        {
          "type": "R(pim)",
          "value": 0.3103
        },
        {
          "type": "I/SigI",
          "value": 2.49
        },
        {
          "type": "Completeness",
          "value": 90.79
        },
        {
          "type": "Redundancy",
          "value": 4.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.831
        }
      ]
    }
  ]

}
  

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


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