Data quality metrics extracted from 6erg.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": "3a33a9a008d9366870d3abf38cb0863a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 111.71,
    "b": 114.26,
    "c": 127.17,
    "alpha": 90.00,
    "beta": 93.14,
    "gamma": 90.00
  },
  "wavelengths": [0.98009],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.760,2.9],
    "number_observations_unique": 51644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 72.9
      },
      {
        "type": "Redundancy",
        "value": 14
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.09,2.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.48
        },
        {
          "type": "R(meas)",
          "value": 2.56
        },
        {
          "type": "R(pim)",
          "value": 0.94
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 21
        },
        {
          "type": "Redundancy",
          "value": 14.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.51
        }
      ]
    }
  ]

}
  

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


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