Data quality metrics extracted from 35yg.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": "a8ae5bacafd76981c238c235c261def8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 171.301,
    "b": 86.128,
    "c": 51.930,
    "alpha": 90.00,
    "beta": 97.87,
    "gamma": 90.00
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.28,2.39],
    "number_observations": 205151,
    "number_observations_unique": 29662,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.180
      },
      {
        "type": "R(meas)",
        "value": 0.195
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.45,2.39],
      "number_observations": 14105,
      "number_observations_unique": 2194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.295
        },
        {
          "type": "R(meas)",
          "value": 1.411
        },
        {
          "type": "R(pim)",
          "value": 0.554
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.534
        }
      ]
    }
  ]

}
  

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


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