Data quality metrics extracted from 7igh.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": "8fe451bdd6fe94d237a81e08330021a6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.32,
    "b": 72.96,
    "c": 52.51,
    "alpha": 90.00,
    "beta": 109.43,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.74,1.03],
    "number_observations": 506639,
    "number_observations_unique": 154362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 8.91
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.09,1.03],
      "number_observations": 72908,
      "number_observations_unique": 23762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.178
        },
        {
          "type": "R(meas)",
          "value": 1.427
        },
        {
          "type": "I/SigI",
          "value": 0.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.403
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.09],
      "number_observations": 71925,
      "number_observations_unique": 23229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.587
        },
        {
          "type": "R(meas)",
          "value": 0.71
        },
        {
          "type": "I/SigI",
          "value": 1.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.729
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.17],
      "number_observations": 72460,
      "number_observations_unique": 21948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "R(meas)",
          "value": 0.468
        },
        {
          "type": "I/SigI",
          "value": 2.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.853
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.26],
      "number_observations": 67014,
      "number_observations_unique": 20312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 3.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.38],
      "number_observations": 63156,
      "number_observations_unique": 18446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 6.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.54],
      "number_observations": 55220,
      "number_observations_unique": 16260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 12.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.78],
      "number_observations": 46856,
      "number_observations_unique": 13772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 21.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.18],
      "number_observations": 36937,
      "number_observations_unique": 10689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 30.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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