Data quality metrics extracted from 7n5t.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": "212be9ebd50f4a73eb8f4dcc59dfba34",
  "space_group_name": "P 2 2 21",
  "unit_cell": {
    "a": 35.479,
    "b": 36.366,
    "c": 176.377,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.37,2.89],
    "number_observations_unique": 5536,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.222
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 24.7
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 41.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.99,2.89],
      "number_observations_unique": 542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.27
        },
        {
          "type": "R(pim)",
          "value": 0.736
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 97.0
        },
        {
          "type": "Redundancy",
          "value": 17.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.873
        }
      ]
    }
  ]

}
  

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


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