Data quality metrics extracted from 7ih1.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": "8bd53a1d5e7080a8f99d862cad331f58",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 73.07,
    "c": 52.50,
    "alpha": 90.00,
    "beta": 109.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.87,1.13],
    "number_observations": 395711,
    "number_observations_unique": 118483,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 9.20
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.13],
      "number_observations": 59254,
      "number_observations_unique": 18720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.274
        },
        {
          "type": "R(meas)",
          "value": 1.533
        },
        {
          "type": "I/SigI",
          "value": 0.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.373
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.20],
      "number_observations": 58365,
      "number_observations_unique": 17980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.963
        },
        {
          "type": "R(meas)",
          "value": 1.155
        },
        {
          "type": "I/SigI",
          "value": 1.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.495
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.28],
      "number_observations": 55826,
      "number_observations_unique": 16791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.652
        },
        {
          "type": "R(meas)",
          "value": 0.779
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.38],
      "number_observations": 53134,
      "number_observations_unique": 15493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "R(meas)",
          "value": 0.432
        },
        {
          "type": "I/SigI",
          "value": 3.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.873
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.51],
      "number_observations": 46663,
      "number_observations_unique": 13940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 5.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.69],
      "number_observations": 43920,
      "number_observations_unique": 12467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 12.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.39,1.95],
      "number_observations": 34381,
      "number_observations_unique": 10378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 22.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.39],
      "number_observations": 28840,
      "number_observations_unique": 8173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 35.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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