Data quality metrics extracted from 6g9e.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": "86508b4430d5e4f2db6356504bd5f053",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 220.063,
    "b": 172.618,
    "c": 138.564,
    "alpha": 90.00,
    "beta": 128.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.610,2.69],
    "number_observations_unique": 110673,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.267
      },
      {
        "type": "R(meas)",
        "value": 0.310
      },
      {
        "type": "R(pim)",
        "value": 0.155
      },
      {
        "type": "I/SigI",
        "value": 4.200
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 3.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.967
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.740,2.690],
      "number_observations_unique": 4952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.303
        },
        {
          "type": "R(meas)",
          "value": 1.517
        },
        {
          "type": "R(pim)",
          "value": 0.767
        },
        {
          "type": "Completeness",
          "value": 89.500
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.488
        }
      ]
    },
    {
      "resolution_limits": [45.610,14.750],
      "number_observations_unique": 686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "R(pim)",
          "value": 0.041
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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