Data quality metrics extracted from 6gpr.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": "2a28395f6051baa96176f44b2a9372fb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.502,
    "b": 44.346,
    "c": 54.023,
    "alpha": 90.0,
    "beta": 115.6,
    "gamma": 90.0
  },
  "wavelengths": [0.97623],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.72,2.35],
    "number_observations_unique": 9680,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.144
      },
      {
        "type": "R(meas)",
        "value": 0.17
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.962
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.35],
      "number_observations_unique": 1400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "R(meas)",
          "value": 0.398
        },
        {
          "type": "R(pim)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.874
        }
      ]
    }
  ]

}
  

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


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