Data quality metrics extracted from 7ihu.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": "88a16c4dea96485bbc111c6636ba555c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 72.91,
    "c": 52.56,
    "alpha": 90.00,
    "beta": 109.31,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.72,1.3],
    "number_observations": 263390,
    "number_observations_unique": 77647,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.094
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 8.21
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.30],
      "number_observations": 41274,
      "number_observations_unique": 12317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.587
        },
        {
          "type": "R(meas)",
          "value": 1.889
        },
        {
          "type": "I/SigI",
          "value": 0.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.341
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.38],
      "number_observations": 40603,
      "number_observations_unique": 11848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.997
        },
        {
          "type": "R(meas)",
          "value": 1.184
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.542
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.47],
      "number_observations": 35864,
      "number_observations_unique": 10957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.63
        },
        {
          "type": "R(meas)",
          "value": 0.755
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.721
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.59],
      "number_observations": 35277,
      "number_observations_unique": 10186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 3.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.74],
      "number_observations": 32263,
      "number_observations_unique": 9221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.216
        },
        {
          "type": "I/SigI",
          "value": 6.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.25,1.95],
      "number_observations": 25796,
      "number_observations_unique": 8008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 11.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.25],
      "number_observations": 23979,
      "number_observations_unique": 6843,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 18.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.88,2.75],
      "number_observations": 18063,
      "number_observations_unique": 5286,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 30.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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