Data quality metrics extracted from 7ifh.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": "0ae4137a4447df21bcd0d2a80f2f7b62",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.27,
    "b": 73.00,
    "c": 52.54,
    "alpha": 90.00,
    "beta": 109.16,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.40,1.03],
    "number_observations": 507644,
    "number_observations_unique": 152182,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 8.66
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.09,1.03],
      "number_observations": 73728,
      "number_observations_unique": 23143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.157
        },
        {
          "type": "R(meas)",
          "value": 1.384
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.09],
      "number_observations": 71746,
      "number_observations_unique": 22391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.627
        },
        {
          "type": "R(meas)",
          "value": 0.751
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.17],
      "number_observations": 72310,
      "number_observations_unique": 21504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "R(meas)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.26],
      "number_observations": 66949,
      "number_observations_unique": 20095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.371
        },
        {
          "type": "I/SigI",
          "value": 3.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.907
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.38],
      "number_observations": 63218,
      "number_observations_unique": 18429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 6.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.54],
      "number_observations": 55204,
      "number_observations_unique": 16208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 11.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.78],
      "number_observations": 47040,
      "number_observations_unique": 13791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 20.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.18],
      "number_observations": 37231,
      "number_observations_unique": 10686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 30.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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