Data quality metrics extracted from 6ir1.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": "6de1c5b8b15148de73f1995d052b5dbb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 156.489,
    "b": 41.665,
    "c": 53.182,
    "alpha": 90.00,
    "beta": 90.63,
    "gamma": 90.00
  },
  "wavelengths": [0.97917],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.260,1.9190],
    "number_observations_unique": 24985,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.180
      },
      {
        "type": "R(pim)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 8.000
      },
      {
        "type": "Completeness",
        "value": 94.100
      },
      {
        "type": "Redundancy",
        "value": 6.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.920],
      "number_observations_unique": 3774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.769
        },
        {
          "type": "R(meas)",
          "value": 0.843
        },
        {
          "type": "R(pim)",
          "value": 0.341
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    },
    {
      "resolution_limits": [40.260,6.070],
      "number_observations_unique": 888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    }
  ]

}
  

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


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