Data quality metrics extracted from 6erc.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": "55f198821808c553b47bb30c334af81f",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 128.253,
    "b": 128.253,
    "c": 146.015,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.07200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.672,2.5],
    "number_observations_unique": 48501,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3149
      },
      {
        "type": "R(meas)",
        "value": 0.3319
      },
      {
        "type": "R(pim)",
        "value": 0.1043
      },
      {
        "type": "I/SigI",
        "value": 7.64
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 10.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 4813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.14
        },
        {
          "type": "R(meas)",
          "value": 4.372
        },
        {
          "type": "R(pim)",
          "value": 1.395
        },
        {
          "type": "I/SigI",
          "value": 0.60
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 9.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.298
        }
      ]
    }
  ]

}
  

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


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