Data quality metrics extracted from 7ih3.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": "a59d36765cbf6b7822d48831c92f92aa",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.32,
    "b": 72.85,
    "c": 52.60,
    "alpha": 90.00,
    "beta": 109.25,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.42,1.11],
    "number_observations": 412106,
    "number_observations_unique": 114381,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 7.05
      },
      {
        "type": "Completeness",
        "value": 89.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.11],
      "number_observations": 59338,
      "number_observations_unique": 17042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.545
        },
        {
          "type": "R(meas)",
          "value": 1.816
        },
        {
          "type": "I/SigI",
          "value": 0.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.382
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.17],
      "number_observations": 62421,
      "number_observations_unique": 17211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.033
        },
        {
          "type": "R(meas)",
          "value": 1.207
        },
        {
          "type": "I/SigI",
          "value": 1.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.536
        }
      ]
    },
    {
      "resolution_limits": [1.36,1.26],
      "number_observations": 57304,
      "number_observations_unique": 15937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.707
        },
        {
          "type": "R(meas)",
          "value": 0.827
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.36],
      "number_observations": 56509,
      "number_observations_unique": 15329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4
        },
        {
          "type": "R(meas)",
          "value": 0.467
        },
        {
          "type": "I/SigI",
          "value": 3.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.877
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.49],
      "number_observations": 48843,
      "number_observations_unique": 13534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 5.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.66],
      "number_observations": 46002,
      "number_observations_unique": 12470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 10.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.35,1.92],
      "number_observations": 35394,
      "number_observations_unique": 10096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 17.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.31,2.35],
      "number_observations": 30184,
      "number_observations_unique": 8258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 23.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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