Data quality metrics extracted from 7iif.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": "4ae0552b604f23a04fa2a1da48c42f35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.40,
    "b": 73.27,
    "c": 52.76,
    "alpha": 90.00,
    "beta": 109.53,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.79,1.17],
    "number_observations": 421987,
    "number_observations_unique": 101181,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 9.41
      },
      {
        "type": "Completeness",
        "value": 91.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.17],
      "number_observations": 32153,
      "number_observations_unique": 9591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.077
        },
        {
          "type": "R(meas)",
          "value": 1.231
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.478
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.24],
      "number_observations": 72859,
      "number_observations_unique": 16577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.877
        },
        {
          "type": "R(meas)",
          "value": 0.996
        },
        {
          "type": "I/SigI",
          "value": 1.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.646
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.32],
      "number_observations": 65168,
      "number_observations_unique": 15457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.632
        },
        {
          "type": "R(meas)",
          "value": 0.724
        },
        {
          "type": "I/SigI",
          "value": 2.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.768
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.43],
      "number_observations": 60205,
      "number_observations_unique": 14215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "R(meas)",
          "value": 0.5
        },
        {
          "type": "I/SigI",
          "value": 4.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.57],
      "number_observations": 58781,
      "number_observations_unique": 12918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "I/SigI",
          "value": 8.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.75],
      "number_observations": 48860,
      "number_observations_unique": 11331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 14.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.02],
      "number_observations": 36959,
      "number_observations_unique": 9584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 20.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.5,2.48],
      "number_observations": 29966,
      "number_observations_unique": 7430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 26.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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