Data quality metrics extracted from 9drw.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": "565dc9b2440472bb621cc06ce8868396",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 140.93,
    "b": 47.81,
    "c": 149.99,
    "alpha": 90.00,
    "beta": 107.71,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.62,1.45],
    "number_observations_unique": 160850,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06408
      },
      {
        "type": "R(meas)",
        "value": 0.06952
      },
      {
        "type": "R(pim)",
        "value": 0.02663
      },
      {
        "type": "I/SigI",
        "value": 16.18
      },
      {
        "type": "Completeness",
        "value": 95.06
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.502,1.45],
      "number_observations_unique": 12829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5379
        },
        {
          "type": "R(meas)",
          "value": 0.5928
        },
        {
          "type": "R(pim)",
          "value": 0.2414
        },
        {
          "type": "I/SigI",
          "value": 4.45
        },
        {
          "type": "Completeness",
          "value": 76.52
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    }
  ]

}
  

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


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