Data quality metrics extracted from 7ifl.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": "53c586a12584bef97b08b79a117c94d1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.21,
    "b": 73.22,
    "c": 52.32,
    "alpha": 90.00,
    "beta": 109.31,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.38,1.17],
    "number_observations": 482132,
    "number_observations_unique": 108418,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 8.87
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.17],
      "number_observations": 73565,
      "number_observations_unique": 16833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.074
        },
        {
          "type": "R(meas)",
          "value": 1.22
        },
        {
          "type": "I/SigI",
          "value": 1.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.532
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.24],
      "number_observations": 74589,
      "number_observations_unique": 16580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.829
        },
        {
          "type": "R(meas)",
          "value": 0.94
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.32],
      "number_observations": 66340,
      "number_observations_unique": 15406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.561
        },
        {
          "type": "R(meas)",
          "value": 0.61
        },
        {
          "type": "I/SigI",
          "value": 2.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.43],
      "number_observations": 61040,
      "number_observations_unique": 14197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 4.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.56],
      "number_observations": 60567,
      "number_observations_unique": 12867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 7.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.75],
      "number_observations": 52570,
      "number_observations_unique": 11353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 13.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.02],
      "number_observations": 40541,
      "number_observations_unique": 9587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 20.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.49,2.47],
      "number_observations": 33576,
      "number_observations_unique": 7449,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 28.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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