Data quality metrics extracted from 5s7f.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": "caa0e20b478b8952df1c9ead0ba91dc4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 127.320,
    "b": 84.739,
    "c": 88.067,
    "alpha": 90.00,
    "beta": 131.02,
    "gamma": 90.00
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.490,1.310],
    "number_observations": 766633,
    "number_observations_unique": 112820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(meas)",
        "value": 0.036
      },
      {
        "type": "R(pim)",
        "value": 0.014
      },
      {
        "type": "I/SigI",
        "value": 28.500
      },
      {
        "type": "Completeness",
        "value": 66.800
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.380,1.310],
      "number_observations": 10081,
      "number_observations_unique": 2750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.800
        },
        {
          "type": "R(meas)",
          "value": 0.914
        },
        {
          "type": "R(pim)",
          "value": 0.425
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 11.200
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    },
    {
      "resolution_limits": [66.490,4.150],
      "number_observations": 35821,
      "number_observations_unique": 5407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 83.600
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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