Data quality metrics extracted from 7ifk.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": "96ad2e04d02e4fa9219f260f6c703e05",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.32,
    "b": 72.94,
    "c": 52.98,
    "alpha": 90.00,
    "beta": 109.66,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.69,1.21],
    "number_observations": 397524,
    "number_observations_unique": 95934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.144
      },
      {
        "type": "R(meas)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 5.37
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.29,1.21],
      "number_observations": 56858,
      "number_observations_unique": 14381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.296
        },
        {
          "type": "R(meas)",
          "value": 1.495
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.379
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.29],
      "number_observations": 60731,
      "number_observations_unique": 14802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.981
        },
        {
          "type": "R(meas)",
          "value": 1.126
        },
        {
          "type": "I/SigI",
          "value": 1.43
        },
        {
          "type": "CC(1/2)",
          "value": 0.54
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.38],
      "number_observations": 54407,
      "number_observations_unique": 13769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.649
        },
        {
          "type": "R(meas)",
          "value": 0.748
        },
        {
          "type": "I/SigI",
          "value": 2.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.49],
      "number_observations": 53167,
      "number_observations_unique": 12685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 3.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.63],
      "number_observations": 51713,
      "number_observations_unique": 11487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 5.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.82],
      "number_observations": 42765,
      "number_observations_unique": 10064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.187
        },
        {
          "type": "I/SigI",
          "value": 8.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.10],
      "number_observations": 32954,
      "number_observations_unique": 8428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 11.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.63,2.57],
      "number_observations": 28281,
      "number_observations_unique": 6603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "I/SigI",
          "value": 14.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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