Data quality metrics extracted from 9ysh.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": "ea5c282f29de410d99b40e0ba6954155",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 249.130,
    "b": 66.634,
    "c": 151.939,
    "alpha": 90.00,
    "beta": 122.73,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.51,2.706],
    "number_observations_unique": 199656,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1184
      },
      {
        "type": "R(meas)",
        "value": 0.1401
      },
      {
        "type": "R(pim)",
        "value": 0.07424
      },
      {
        "type": "I/SigI",
        "value": 6.77
      },
      {
        "type": "Completeness",
        "value": 99.09
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.934
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.706],
      "number_observations_unique": 9155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.268
        },
        {
          "type": "R(meas)",
          "value": 1.505
        },
        {
          "type": "R(pim)",
          "value": 0.8029
        },
        {
          "type": "I/SigI",
          "value": 0.91
        },
        {
          "type": "Completeness",
          "value": 93.09
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.426
        }
      ]
    }
  ]

}
  

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


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