Data quality metrics extracted from 7ihg.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": "c1383fb8de30a6d105d3c9b9885c5069",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 73.38,
    "c": 52.63,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.52,1.13],
    "number_observations": 397757,
    "number_observations_unique": 119451,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 7.52
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.13],
      "number_observations": 59434,
      "number_observations_unique": 18972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.505
        },
        {
          "type": "R(meas)",
          "value": 1.82
        },
        {
          "type": "I/SigI",
          "value": 0.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.285
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.20],
      "number_observations": 58797,
      "number_observations_unique": 18082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.051
        },
        {
          "type": "R(meas)",
          "value": 1.263
        },
        {
          "type": "I/SigI",
          "value": 0.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.409
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.28],
      "number_observations": 55900,
      "number_observations_unique": 16840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.666
        },
        {
          "type": "R(meas)",
          "value": 0.795
        },
        {
          "type": "I/SigI",
          "value": 1.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.651
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.38],
      "number_observations": 53609,
      "number_observations_unique": 15710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "R(meas)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 3.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.86
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.51],
      "number_observations": 46937,
      "number_observations_unique": 14007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2
        },
        {
          "type": "R(meas)",
          "value": 0.238
        },
        {
          "type": "I/SigI",
          "value": 5.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.69],
      "number_observations": 43969,
      "number_observations_unique": 12552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 10.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.39,1.95],
      "number_observations": 34540,
      "number_observations_unique": 10475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 18.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.39],
      "number_observations": 29047,
      "number_observations_unique": 8230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 27.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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