Data quality metrics extracted from 7fsk.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": "1b29ddc2a564f51e63bed6d72138f4b3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.455,
    "b": 49.695,
    "c": 115.832,
    "alpha": 90.000,
    "beta": 94.886,
    "gamma": 90.000
  },
  "wavelengths": [0.91790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [115.260,2.280],
    "number_observations": 143030,
    "number_observations_unique": 42002,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 10.200
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.961
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.360,2.280],
      "number_observations": 12727,
      "number_observations_unique": 3743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "R(meas)",
          "value": 1.797
        },
        {
          "type": "R(pim)",
          "value": 0.964
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.342
        }
      ]
    },
    {
      "resolution_limits": [115.260,9.120],
      "number_observations": 2192,
      "number_observations_unique": 726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "R(pim)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 43.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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