Data quality metrics extracted from 6c7g.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": "804f8ed21a972c1049b7f33e59bee07e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.141,
    "b": 73.992,
    "c": 91.743,
    "alpha": 109.48,
    "beta": 91.49,
    "gamma": 91.04
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.130,1.680],
    "number_observations": 260972,
    "number_observations_unique": 146602,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.235
      },
      {
        "type": "R(pim)",
        "value": 0.161
      },
      {
        "type": "I/SigI",
        "value": 2.900
      },
      {
        "type": "Completeness",
        "value": 92.400
      },
      {
        "type": "Redundancy",
        "value": 1.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.897
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.720,1.680],
      "number_observations_unique": 10776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.604
        },
        {
          "type": "R(meas)",
          "value": 0.827
        },
        {
          "type": "R(pim)",
          "value": 0.562
        },
        {
          "type": "Completeness",
          "value": 91.200
        },
        {
          "type": "Redundancy",
          "value": 1.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.544
        }
      ]
    },
    {
      "resolution_limits": [66.130,7.510],
      "number_observations_unique": 1750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "R(pim)",
          "value": 0.138
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    }
  ]

}
  

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


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