Data quality metrics extracted from 7ihk.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": "8d60a67117965626effe6baea506f3fd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.45,
    "b": 73.33,
    "c": 52.76,
    "alpha": 90.00,
    "beta": 109.38,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.63,1.31],
    "number_observations": 256716,
    "number_observations_unique": 77342,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "R(meas)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 7.79
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.31],
      "number_observations": 39222,
      "number_observations_unique": 12208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.521
        },
        {
          "type": "R(meas)",
          "value": 1.816
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.39],
      "number_observations": 39055,
      "number_observations_unique": 11774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9
        },
        {
          "type": "R(meas)",
          "value": 1.071
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.565
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.48],
      "number_observations": 34826,
      "number_observations_unique": 10969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "R(meas)",
          "value": 0.632
        },
        {
          "type": "I/SigI",
          "value": 2.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.772
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.60],
      "number_observations": 34824,
      "number_observations_unique": 10131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "R(meas)",
          "value": 0.378
        },
        {
          "type": "I/SigI",
          "value": 3.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.901
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.75],
      "number_observations": 31744,
      "number_observations_unique": 9197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 7.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.26,1.96],
      "number_observations": 25413,
      "number_observations_unique": 7988,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 11.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.26],
      "number_observations": 23859,
      "number_observations_unique": 6832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 17.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.9,2.77],
      "number_observations": 17825,
      "number_observations_unique": 5271,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 25.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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