Data quality metrics extracted from 7ih5.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": "8aff94ccb5d8815658afaf7c13a1e207",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.25,
    "b": 72.95,
    "c": 52.55,
    "alpha": 90.0,
    "beta": 109.3,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.38,1.14],
    "number_observations": 382999,
    "number_observations_unique": 112463,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "I/SigI",
        "value": 6.88
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.21,1.14],
      "number_observations": 59102,
      "number_observations_unique": 17412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.54
        },
        {
          "type": "R(meas)",
          "value": 1.828
        },
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.377
        }
      ]
    },
    {
      "resolution_limits": [1.29,1.21],
      "number_observations": 55976,
      "number_observations_unique": 16864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.236
        },
        {
          "type": "R(meas)",
          "value": 1.474
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.29],
      "number_observations": 54017,
      "number_observations_unique": 15763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.788
        },
        {
          "type": "R(meas)",
          "value": 0.932
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.668
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.39],
      "number_observations": 51365,
      "number_observations_unique": 14832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.453
        },
        {
          "type": "R(meas)",
          "value": 0.537
        },
        {
          "type": "I/SigI",
          "value": 2.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.839
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.53],
      "number_observations": 45034,
      "number_observations_unique": 13371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "R(meas)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 4.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.939
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.71],
      "number_observations": 42375,
      "number_observations_unique": 12035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 9.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.41,1.97],
      "number_observations": 32859,
      "number_observations_unique": 9931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 16.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.41,2.41],
      "number_observations": 27568,
      "number_observations_unique": 7909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 25.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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