Data quality metrics extracted from 9r5l.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": "5382dc64750e52bfb486d87433e87417",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 141.083,
    "b": 45.774,
    "c": 56.833,
    "alpha": 90.000,
    "beta": 112.221,
    "gamma": 90.000
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.2,1.7],
    "number_observations_unique": 36454,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05782
      },
      {
        "type": "R(meas)",
        "value": 0.06248
      },
      {
        "type": "R(pim)",
        "value": 0.02348
      },
      {
        "type": "I/SigI",
        "value": 13.09
      },
      {
        "type": "Completeness",
        "value": 97.81
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.713
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.7],
      "number_observations_unique": 2704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.316
        },
        {
          "type": "R(meas)",
          "value": 1.426
        },
        {
          "type": "R(pim)",
          "value": 0.5339
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "Completeness",
          "value": 96.43
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.713
        }
      ]
    }
  ]

}
  

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


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