Data quality metrics extracted from 7if4.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": "a073ee629272243240be38da6c0ae08c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.30,
    "b": 73.47,
    "c": 52.53,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.73,1.13],
    "number_observations": 397296,
    "number_observations_unique": 118199,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(meas)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 7.92
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.13],
      "number_observations": 57505,
      "number_observations_unique": 17957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.561
        },
        {
          "type": "R(meas)",
          "value": 1.87
        },
        {
          "type": "I/SigI",
          "value": 0.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.329
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.19],
      "number_observations": 59317,
      "number_observations_unique": 17820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.056
        },
        {
          "type": "R(meas)",
          "value": 1.26
        },
        {
          "type": "I/SigI",
          "value": 1.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.486
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.28],
      "number_observations": 55705,
      "number_observations_unique": 16748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.666
        },
        {
          "type": "R(meas)",
          "value": 0.795
        },
        {
          "type": "I/SigI",
          "value": 1.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.684
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.38],
      "number_observations": 53753,
      "number_observations_unique": 15633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "R(meas)",
          "value": 0.442
        },
        {
          "type": "I/SigI",
          "value": 3.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.51],
      "number_observations": 47049,
      "number_observations_unique": 14073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 5.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.69],
      "number_observations": 44355,
      "number_observations_unique": 12596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 11.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.39,1.95],
      "number_observations": 34933,
      "number_observations_unique": 10559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 19.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.37,2.39],
      "number_observations": 29179,
      "number_observations_unique": 8224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 28.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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