Data quality metrics extracted from 7n6n.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": "f6abd45bc670428ade865e9edb4e4458",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.624,
    "b": 79.331,
    "c": 62.805,
    "alpha": 90.00,
    "beta": 106.47,
    "gamma": 90.00
  },
  "wavelengths": [1.32363],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.230,2.800],
    "number_observations_unique": 13665,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.279
      },
      {
        "type": "R(meas)",
        "value": 0.327
      },
      {
        "type": "R(pim)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 3.300
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 3.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.955
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.800],
      "number_observations_unique": 1976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.306
        },
        {
          "type": "R(meas)",
          "value": 1.557
        },
        {
          "type": "R(pim)",
          "value": 0.833
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.379
        }
      ]
    }
  ]

}
  

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


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