Data quality metrics extracted from 31nr.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": "2da702f1df5c52798a16476fcf41f31e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.21,
    "b": 60.28,
    "c": 88.91,
    "alpha": 93.477,
    "beta": 100.497,
    "gamma": 101.646
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.55,2.16],
    "number_observations_unique": 64000,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.287
      },
      {
        "type": "R(meas)",
        "value": 0.328
      },
      {
        "type": "I/SigI",
        "value": 4.91
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.16],
      "number_observations_unique": 5898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.281
        },
        {
          "type": "R(meas)",
          "value": 1.469
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.509
        }
      ]
    }
  ]

}
  

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


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