Data quality metrics extracted from 43ia.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "6ade2e2142e336f0bd435f6b06e360a9",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 71.395,
    "b": 75.823,
    "c": 104.615,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.55,1.26],
    "number_observations_unique": 151911,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.196
      },
      {
        "type": "R(meas)",
        "value": 0.200
      },
      {
        "type": "I/SigI",
        "value": 21.1
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 25.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.28,1.26],
      "number_observations_unique": 7325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.719
        },
        {
          "type": "R(meas)",
          "value": 3.780
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "Redundancy",
          "value": 24.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    }
  ]

}
  

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


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