Data quality metrics extracted from 9r32.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": "25e8ae93c1208d1beaef2e4703a498df",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.153,
    "b": 119.425,
    "c": 142.760,
    "alpha": 90.000,
    "beta": 90.308,
    "gamma": 90.000
  },
  "wavelengths": [1.54170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [142.76,1.9],
    "number_observations_unique": 187306,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 11.8
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "number_observations_unique": 8580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.658
        },
        {
          "type": "R(pim)",
          "value": 0.514
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.706
        }
      ]
    }
  ]

}
  

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


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