Data quality metrics extracted from 7ih4.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": "3f77c8a800731e08032b2f39fd4ce540",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.38,
    "b": 73.54,
    "c": 52.68,
    "alpha": 90.00,
    "beta": 109.34,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.82,1.39],
    "number_observations": 219570,
    "number_observations_unique": 64572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "R(meas)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 7.69
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.39],
      "number_observations": 34608,
      "number_observations_unique": 10216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.245
        },
        {
          "type": "R(meas)",
          "value": 1.478
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.329
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.47],
      "number_observations": 32720,
      "number_observations_unique": 9818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.796
        },
        {
          "type": "R(meas)",
          "value": 0.949
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.532
        }
      ]
    },
    {
      "resolution_limits": [1.7,1.57],
      "number_observations": 30615,
      "number_observations_unique": 9138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(meas)",
          "value": 0.578
        },
        {
          "type": "I/SigI",
          "value": 2.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.736
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.70],
      "number_observations": 29927,
      "number_observations_unique": 8463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "R(meas)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 4.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.86],
      "number_observations": 26319,
      "number_observations_unique": 7636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "R(meas)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 7.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.08],
      "number_observations": 21568,
      "number_observations_unique": 6660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 11.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.40],
      "number_observations": 20442,
      "number_observations_unique": 5725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 16.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.14,2.94],
      "number_observations": 14656,
      "number_observations_unique": 4427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 24.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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