Data quality metrics extracted from 7iic.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": "7394e14dc81145f66006b458b7944b39",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.20,
    "b": 73.18,
    "c": 52.44,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.47,1.03],
    "number_observations": 682497,
    "number_observations_unique": 158254,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 8.72
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.09,1.03],
      "number_observations": 102220,
      "number_observations_unique": 25160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.813
        },
        {
          "type": "R(meas)",
          "value": 2.082
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.364
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.09],
      "number_observations": 94090,
      "number_observations_unique": 23912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.931
        },
        {
          "type": "R(meas)",
          "value": 1.07
        },
        {
          "type": "I/SigI",
          "value": 1.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.67
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.17],
      "number_observations": 98935,
      "number_observations_unique": 22463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.628
        },
        {
          "type": "R(meas)",
          "value": 0.713
        },
        {
          "type": "I/SigI",
          "value": 2.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.82
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.26],
      "number_observations": 92007,
      "number_observations_unique": 20681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.432
        },
        {
          "type": "R(meas)",
          "value": 0.489
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.38],
      "number_observations": 79338,
      "number_observations_unique": 18677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.262
        },
        {
          "type": "I/SigI",
          "value": 6.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.54],
      "number_observations": 76642,
      "number_observations_unique": 16515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 11.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.78],
      "number_observations": 63805,
      "number_observations_unique": 13963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 21.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.18],
      "number_observations": 46451,
      "number_observations_unique": 10850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 31.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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