Data quality metrics extracted from 7iih.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": "7b7fa030d18fc66512821ff08d02a187",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.19,
    "b": 72.88,
    "c": 52.44,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.32,1.03],
    "number_observations": 680440,
    "number_observations_unique": 157599,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 10.41
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.09,1.03],
      "number_observations": 101606,
      "number_observations_unique": 24954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.232
        },
        {
          "type": "R(meas)",
          "value": 1.415
        },
        {
          "type": "I/SigI",
          "value": 0.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.397
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.09],
      "number_observations": 94002,
      "number_observations_unique": 23904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "R(meas)",
          "value": 0.683
        },
        {
          "type": "I/SigI",
          "value": 1.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.739
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.17],
      "number_observations": 99213,
      "number_observations_unique": 22403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "R(meas)",
          "value": 0.445
        },
        {
          "type": "I/SigI",
          "value": 3.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.26],
      "number_observations": 91957,
      "number_observations_unique": 20600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "R(meas)",
          "value": 0.301
        },
        {
          "type": "I/SigI",
          "value": 4.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.38],
      "number_observations": 79137,
      "number_observations_unique": 18606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.169
        },
        {
          "type": "I/SigI",
          "value": 8.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.54],
      "number_observations": 76357,
      "number_observations_unique": 16439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 15.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.78],
      "number_observations": 63333,
      "number_observations_unique": 13887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 26.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.18],
      "number_observations": 46053,
      "number_observations_unique": 10789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 34.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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