Data quality metrics extracted from 7out.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": "4deebb068cd588ec2a845a67a350afa3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.597,
    "b": 132.579,
    "c": 139.419,
    "alpha": 90.00,
    "beta": 98.72,
    "gamma": 90.00
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.810,3.200],
    "number_observations": 322541,
    "number_observations_unique": 53240,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.147
      },
      {
        "type": "R(pim)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 7.800
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.300,3.200],
      "number_observations_unique": 4595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.097
        },
        {
          "type": "R(meas)",
          "value": 2.295
        },
        {
          "type": "R(pim)",
          "value": 0.922
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.328
        }
      ]
    }
  ]

}
  

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


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