Data quality metrics extracted from 9yxy.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": "c67561f5f8265d65ce6f8f94b3337f79",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.943,
    "b": 116.320,
    "c": 121.483,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.24,2.0],
    "number_observations_unique": 37041,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1613
      },
      {
        "type": "R(meas)",
        "value": 0.1677
      },
      {
        "type": "R(pim)",
        "value": 0.04504
      },
      {
        "type": "I/SigI",
        "value": 11.85
      },
      {
        "type": "Completeness",
        "value": 96.68
      },
      {
        "type": "Redundancy",
        "value": 13.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.0],
      "number_observations_unique": 2799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.158
        },
        {
          "type": "R(meas)",
          "value": 3.276
        },
        {
          "type": "R(pim)",
          "value": 0.8626
        },
        {
          "type": "I/SigI",
          "value": 0.86
        },
        {
          "type": "Completeness",
          "value": 94.90
        },
        {
          "type": "Redundancy",
          "value": 14.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.399
        }
      ]
    }
  ]

}
  

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


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