Data quality metrics extracted from 7q6g.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": "bd4018733dbda874e4b1f979cce8d75a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 142.276,
    "b": 70.715,
    "c": 50.719,
    "alpha": 90.00,
    "beta": 100.98,
    "gamma": 90.00
  },
  "wavelengths": [1.00915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.850,2.800],
    "number_observations": 41563,
    "number_observations_unique": 12283,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.257
      },
      {
        "type": "R(meas)",
        "value": 0.306
      },
      {
        "type": "R(pim)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 4.400
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.796
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.870,2.800],
      "number_observations": 2652,
      "number_observations_unique": 895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.857
        },
        {
          "type": "R(meas)",
          "value": 1.041
        },
        {
          "type": "R(pim)",
          "value": 0.584
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.636
        }
      ]
    },
    {
      "resolution_limits": [40.850,12.520],
      "number_observations": 463,
      "number_observations_unique": 141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "R(pim)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 9.000
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    }
  ]

}
  

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


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