Data quality metrics extracted from 7hw6.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": "122244c7490b1cf1bdef2e58078317c2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.527,
    "b": 61.648,
    "c": 32.640,
    "alpha": 90.0,
    "beta": 93.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92202],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.95,1.72],
    "number_observations": 106233,
    "number_observations_unique": 15305,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.265
      },
      {
        "type": "R(meas)",
        "value": 0.287
      },
      {
        "type": "R(pim)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.72],
      "number_observations": 5446,
      "number_observations_unique": 791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.480
        },
        {
          "type": "R(meas)",
          "value": 2.685
        },
        {
          "type": "R(pim)",
          "value": 1.018
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.298
        }
      ]
    }
  ]

}
  

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


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