Data quality metrics extracted from 9ysf.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": "fd5be762f64e124cc71b0e2add645a87",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 87.318,
    "b": 48.210,
    "c": 73.695,
    "alpha": 90.000,
    "beta": 110.018,
    "gamma": 90.000
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.72,1.59],
    "number_observations_unique": 37207,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04806
      },
      {
        "type": "R(meas)",
        "value": 0.05206
      },
      {
        "type": "R(pim)",
        "value": 0.01976
      },
      {
        "type": "I/SigI",
        "value": 14.21
      },
      {
        "type": "Completeness",
        "value": 95.35
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.59],
      "number_observations_unique": 2119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.274
        },
        {
          "type": "R(meas)",
          "value": 1.429
        },
        {
          "type": "R(pim)",
          "value": 0.6345
        },
        {
          "type": "Completeness",
          "value": 70.58
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.68
        }
      ]
    }
  ]

}
  

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


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