Data quality metrics extracted from 9ylc.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": "29c86e018d82c58e2f856f82af2cd1a7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.530,
    "b": 74.289,
    "c": 50.852,
    "alpha": 90.000,
    "beta": 103.002,
    "gamma": 90.000
  },
  "wavelengths": [0.92011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.12,1.63],
    "number_observations_unique": 47862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1173
      },
      {
        "type": "R(meas)",
        "value": 0.1272
      },
      {
        "type": "R(pim)",
        "value": 0.04884
      },
      {
        "type": "I/SigI",
        "value": 9.23
      },
      {
        "type": "Completeness",
        "value": 99.80
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.688,1.63],
      "number_observations_unique": 4712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.051
        },
        {
          "type": "R(meas)",
          "value": 1.178
        },
        {
          "type": "R(pim)",
          "value": 0.5194
        },
        {
          "type": "I/SigI",
          "value": 1.15
        },
        {
          "type": "Completeness",
          "value": 98.17
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.459
        }
      ]
    }
  ]

}
  

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


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