Data quality metrics extracted from 9n3l.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": "67d3729217a82216d02196bf05d8abdb",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 141.093,
    "b": 141.093,
    "c": 141.093,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.71,1.90],
    "number_observations_unique": 36913,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06158
      },
      {
        "type": "R(meas)",
        "value": 0.06302
      },
      {
        "type": "R(pim)",
        "value": 0.01334
      },
      {
        "type": "I/SigI",
        "value": 34.49
      },
      {
        "type": "Completeness",
        "value": 99.97
      },
      {
        "type": "Redundancy",
        "value": 22.3
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 3655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.417
        },
        {
          "type": "R(meas)",
          "value": 1.449
        },
        {
          "type": "R(pim)",
          "value": 0.3019
        },
        {
          "type": "I/SigI",
          "value": 2.29
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 22.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.803
        }
      ]
    }
  ]

}
  

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


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