Data quality metrics extracted from 7ifu.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": "120b474ed2e547edb2c96a6c87794506",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.26,
    "b": 72.96,
    "c": 52.50,
    "alpha": 90.00,
    "beta": 109.28,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.69,1.13],
    "number_observations": 395178,
    "number_observations_unique": 117985,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 7.34
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.13],
      "number_observations": 59703,
      "number_observations_unique": 18823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6
        },
        {
          "type": "R(meas)",
          "value": 0.724
        },
        {
          "type": "I/SigI",
          "value": 1.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.20],
      "number_observations": 58866,
      "number_observations_unique": 17905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.482
        },
        {
          "type": "R(meas)",
          "value": 0.577
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.28],
      "number_observations": 55549,
      "number_observations_unique": 16727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "R(meas)",
          "value": 0.416
        },
        {
          "type": "I/SigI",
          "value": 2.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.38],
      "number_observations": 53093,
      "number_observations_unique": 15391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 4.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.51],
      "number_observations": 46615,
      "number_observations_unique": 13910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 7.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.69],
      "number_observations": 43526,
      "number_observations_unique": 12327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 11.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.39,1.95],
      "number_observations": 34226,
      "number_observations_unique": 10290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 16.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.39],
      "number_observations": 28508,
      "number_observations_unique": 8125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 20.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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