Data quality metrics extracted from 7fsq.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": "f3c14ef22f2c195eb27aedb615e64b9b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.334,
    "b": 49.618,
    "c": 115.944,
    "alpha": 90.00,
    "beta": 94.89,
    "gamma": 90.00
  },
  "wavelengths": [0.91790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.580,2.070],
    "number_observations": 193280,
    "number_observations_unique": 55886,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.155
      },
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 12.200
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.130,2.070],
      "number_observations": 14973,
      "number_observations_unique": 4201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.623
        },
        {
          "type": "R(meas)",
          "value": 1.911
        },
        {
          "type": "R(pim)",
          "value": 1.001
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.365
        }
      ]
    },
    {
      "resolution_limits": [68.580,9.030],
      "number_observations": 2284,
      "number_observations_unique": 745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "R(pim)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 63.400
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    }
  ]

}
  

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


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