Data quality metrics extracted from 7szy.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": "8a5268a195e04a4f187624551b0d4064",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 45.06,
    "b": 49.10,
    "c": 74.99,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.06,2.4],
    "number_observations_unique": 6799,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1022
      },
      {
        "type": "R(meas)",
        "value": 0.1446
      },
      {
        "type": "R(pim)",
        "value": 0.1022
      },
      {
        "type": "I/SigI",
        "value": 7.21
      },
      {
        "type": "Completeness",
        "value": 98.44
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5331
        },
        {
          "type": "R(meas)",
          "value": 0.7539
        },
        {
          "type": "R(pim)",
          "value": 0.5331
        },
        {
          "type": "I/SigI",
          "value": 2.43
        },
        {
          "type": "Completeness",
          "value": 98.66
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.385
        }
      ]
    }
  ]

}
  

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


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