Data quality metrics extracted from 6gfv.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": "37238a3911b22767edd6697538b45a09",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 121.821,
    "b": 89.579,
    "c": 87.107,
    "alpha": 90.00,
    "beta": 125.54,
    "gamma": 90.00
  },
  "wavelengths": [0.92820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.9,1.960],
    "number_observations_unique": 54634,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.176
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 5.600
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.070,1.960],
      "number_observations": 23658,
      "number_observations_unique": 7939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.709
        },
        {
          "type": "R(meas)",
          "value": 0.869
        },
        {
          "type": "R(pim)",
          "value": 0.494
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    },
    {
      "resolution_limits": [70.880,6.200],
      "number_observations": 6608,
      "number_observations_unique": 1793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 13.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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