Data quality metrics extracted from 7i1y.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": "1d36948a2c53de74335cba09c96ad28e",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 42.79,
    "b": 42.79,
    "c": 217.58,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.79,1.95],
    "number_observations": 385181,
    "number_observations_unique": 15808,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.206
      },
      {
        "type": "R(meas)",
        "value": 0.210
      },
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 10.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 24.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.95],
      "number_observations": 27000,
      "number_observations_unique": 1105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.709
        },
        {
          "type": "R(meas)",
          "value": 8.893
        },
        {
          "type": "R(pim)",
          "value": 1.787
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 24.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.356
        }
      ]
    }
  ]

}
  

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


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