Data quality metrics extracted from 7hsw.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": "ad72bc0a3d20e4634202dd15c25b6bff",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 98.334,
    "b": 98.368,
    "c": 129.226,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.29,2.41],
    "number_observations": 329703,
    "number_observations_unique": 24556,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.302
      },
      {
        "type": "R(meas)",
        "value": 0.314
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.50,2.41],
      "number_observations": 31758,
      "number_observations_unique": 2529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.937
        },
        {
          "type": "R(meas)",
          "value": 4.105
        },
        {
          "type": "R(pim)",
          "value": 1.152
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 12.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.290
        }
      ]
    }
  ]

}
  

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


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