Data quality metrics extracted from 7ifi.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": "58c5624bf2c495356a75401ee83af448",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 73.12,
    "c": 52.42,
    "alpha": 90.00,
    "beta": 109.43,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.73,1.15],
    "number_observations": 376636,
    "number_observations_unique": 109409,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 7.17
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.22,1.15],
      "number_observations": 58942,
      "number_observations_unique": 17041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.476
        },
        {
          "type": "R(meas)",
          "value": 1.742
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [1.3,1.22],
      "number_observations": 53953,
      "number_observations_unique": 16294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.142
        },
        {
          "type": "R(meas)",
          "value": 1.359
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.449
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.30],
      "number_observations": 54159,
      "number_observations_unique": 15413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.746
        },
        {
          "type": "R(meas)",
          "value": 0.879
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.65
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.41],
      "number_observations": 50047,
      "number_observations_unique": 14401,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "R(meas)",
          "value": 0.512
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.839
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.54],
      "number_observations": 44414,
      "number_observations_unique": 12980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 4.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.72],
      "number_observations": 41058,
      "number_observations_unique": 11615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 9.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.44,1.99],
      "number_observations": 32208,
      "number_observations_unique": 9717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 16.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.44],
      "number_observations": 27273,
      "number_observations_unique": 7709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 26.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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