Data quality metrics extracted from 9q4g.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": "e64ff1bbbece5273cfd7344c3f7572e0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.193,
    "b": 118.348,
    "c": 164.637,
    "alpha": 90.00,
    "beta": 90.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.05,2.30],
    "number_observations": 423150,
    "number_observations_unique": 88693,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.429
      },
      {
        "type": "R(meas)",
        "value": 0.483
      },
      {
        "type": "R(pim)",
        "value": 0.217
      },
      {
        "type": "I/SigI",
        "value": 3.9
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.918
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "number_observations_unique": 4491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.629
        },
        {
          "type": "R(meas)",
          "value": 5.240
        },
        {
          "type": "R(pim)",
          "value": 2.408
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.087
        }
      ]
    }
  ]

}
  

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


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