Data quality metrics extracted from 7n2b.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": "ac9d57c7768c64a0e28f14cb7b5ac9fe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.962,
    "b": 63.625,
    "c": 166.005,
    "alpha": 90.000,
    "beta": 90.162,
    "gamma": 90.000
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.16,3.221],
    "number_observations_unique": 13842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07087
      },
      {
        "type": "R(meas)",
        "value": 0.08449
      },
      {
        "type": "I/SigI",
        "value": 10.98
      },
      {
        "type": "Completeness",
        "value": 87.26
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.336,3.221],
      "number_observations_unique": 1491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5057
        },
        {
          "type": "R(meas)",
          "value": 0.6052
        },
        {
          "type": "R(pim)",
          "value": 0.3275
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "Completeness",
          "value": 95.36
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    }
  ]

}
  

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


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