Data quality metrics extracted from 7ifq.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": "dc837b1e495e934b6b110d1b6934247a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.39,
    "b": 73.57,
    "c": 52.61,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.55,1.37],
    "number_observations": 231324,
    "number_observations_unique": 67657,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "R(meas)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 8.52
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.37],
      "number_observations": 35818,
      "number_observations_unique": 10603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.241
        },
        {
          "type": "R(meas)",
          "value": 1.477
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.45],
      "number_observations": 35115,
      "number_observations_unique": 10326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.784
        },
        {
          "type": "R(meas)",
          "value": 0.933
        },
        {
          "type": "I/SigI",
          "value": 1.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.55],
      "number_observations": 31424,
      "number_observations_unique": 9568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.477
        },
        {
          "type": "R(meas)",
          "value": 0.571
        },
        {
          "type": "I/SigI",
          "value": 2.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.773
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.67],
      "number_observations": 31653,
      "number_observations_unique": 8879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.282
        },
        {
          "type": "R(meas)",
          "value": 0.333
        },
        {
          "type": "I/SigI",
          "value": 4.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.83],
      "number_observations": 28042,
      "number_observations_unique": 8019,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 8.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.05],
      "number_observations": 22582,
      "number_observations_unique": 6981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 12.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.36],
      "number_observations": 21768,
      "number_observations_unique": 6027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 18.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.08,2.89],
      "number_observations": 15794,
      "number_observations_unique": 4635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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