Data quality metrics extracted from 7ihh.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": "a762227b16ba3d2860a00d8e93c9ddd3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.36,
    "b": 73.11,
    "c": 52.68,
    "alpha": 90.00,
    "beta": 109.37,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.56,1.35],
    "number_observations": 238815,
    "number_observations_unique": 70184,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 8.08
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.35],
      "number_observations": 38030,
      "number_observations_unique": 11262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.26
        },
        {
          "type": "R(meas)",
          "value": 1.503
        },
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.342
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.43],
      "number_observations": 36376,
      "number_observations_unique": 10653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.809
        },
        {
          "type": "R(meas)",
          "value": 0.963
        },
        {
          "type": "I/SigI",
          "value": 1.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.555
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.53],
      "number_observations": 31843,
      "number_observations_unique": 9757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.506
        },
        {
          "type": "R(meas)",
          "value": 0.605
        },
        {
          "type": "I/SigI",
          "value": 2.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.65],
      "number_observations": 32752,
      "number_observations_unique": 9258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        },
        {
          "type": "R(meas)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 4.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.81],
      "number_observations": 28879,
      "number_observations_unique": 8319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 7.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.02],
      "number_observations": 23137,
      "number_observations_unique": 7172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 11.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.33],
      "number_observations": 22292,
      "number_observations_unique": 6252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 17.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.03,2.85],
      "number_observations": 16275,
      "number_observations_unique": 4823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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