Data quality metrics extracted from 7zt2.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": "93af5a525ae39354210387afdafe45ba",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 91.19,
    "b": 103.85,
    "c": 117.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.24,2.40],
    "number_observations_unique": 44054,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 99.12
      },
      {
        "type": "Redundancy",
        "value": 15.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "number_observations_unique": 2149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.872
        },
        {
          "type": "R(meas)",
          "value": 4.022
        },
        {
          "type": "R(pim)",
          "value": 1.073
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 98.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.419
        }
      ]
    }
  ]

}
  

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


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