Data quality metrics extracted from 9c98.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "b51039d96f22bec9150fb22d4d071181",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 117.315,
    "b": 298.278,
    "c": 144.573,
    "alpha": 90.000,
    "beta": 108.795,
    "gamma": 90.000
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.54,3.04],
    "number_observations_unique": 240562,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.327
      },
      {
        "type": "R(meas)",
        "value": 0.3542
      },
      {
        "type": "R(pim)",
        "value": 0.1349
      },
      {
        "type": "I/SigI",
        "value": 5.48
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,3.04],
      "number_observations_unique": 7289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.273
        },
        {
          "type": "R(meas)",
          "value": 3.545
        },
        {
          "type": "R(pim)",
          "value": 1.35
        },
        {
          "type": "I/SigI",
          "value": 0.61
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.262
        }
      ]
    }
  ]

}
  

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


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