Data quality metrics extracted from 6gh2.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": "29464379b8f8afc0de89fb0151f0c04b",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 146.405,
    "b": 146.405,
    "c": 221.860,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.690,2.500],
    "number_observations": 1492934,
    "number_observations_unique": 83874,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.217
      },
      {
        "type": "R(meas)",
        "value": 0.223
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 13.600
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 17.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.550,2.500],
      "number_observations_unique": 4529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.809
        },
        {
          "type": "R(meas)",
          "value": 1.859
        },
        {
          "type": "R(pim)",
          "value": 0.424
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [75.690,12.990],
      "number_observations_unique": 725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 14.800
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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