Data quality metrics extracted from 7ii4.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": "2186a0b11ebe40874f49015665c322f2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.29,
    "b": 72.97,
    "c": 52.51,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.38,1.08],
    "number_observations": 447061,
    "number_observations_unique": 135069,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 7.80
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.08],
      "number_observations": 63276,
      "number_observations_unique": 21132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.284
        },
        {
          "type": "R(meas)",
          "value": 1.564
        },
        {
          "type": "I/SigI",
          "value": 0.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.339
        }
      ]
    },
    {
      "resolution_limits": [1.22,1.14],
      "number_observations": 67423,
      "number_observations_unique": 20552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.797
        },
        {
          "type": "R(meas)",
          "value": 0.9540000000000001
        },
        {
          "type": "I/SigI",
          "value": 1.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.582
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.22],
      "number_observations": 61334,
      "number_observations_unique": 19092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.584
        },
        {
          "type": "R(meas)",
          "value": 0.7020000000000001
        },
        {
          "type": "I/SigI",
          "value": 1.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.709
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.32],
      "number_observations": 61308,
      "number_observations_unique": 17697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "R(meas)",
          "value": 0.43200000000000005
        },
        {
          "type": "I/SigI",
          "value": 3.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.45],
      "number_observations": 52807,
      "number_observations_unique": 16007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "R(meas)",
          "value": 0.233
        },
        {
          "type": "I/SigI",
          "value": 5.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.62],
      "number_observations": 50528,
      "number_observations_unique": 14168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 10.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.29,1.87],
      "number_observations": 39579,
      "number_observations_unique": 11922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 19.41
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.29],
      "number_observations": 33340,
      "number_observations_unique": 9345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 28.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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