Data quality metrics extracted from 6i3d.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": "d835472be52b4c63719a2c9203786eb0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.961,
    "b": 75.797,
    "c": 64.345,
    "alpha": 90.00,
    "beta": 94.62,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.02,1.45],
    "number_observations_unique": 72308,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.058
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 15.5
      },
      {
        "type": "Completeness",
        "value": 99.38
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.502,1.45],
      "number_observations_unique": 7205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "R(meas)",
          "value": 0.31
        },
        {
          "type": "R(pim)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 5.32
        },
        {
          "type": "Completeness",
          "value": 99.71
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    }
  ]

}
  

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


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