Data quality metrics extracted from 7i1f.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": "6ecef2f84247e8cb7226c88171dc106e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.69,
    "b": 99.33,
    "c": 103.18,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.78,1.77],
    "number_observations": 399892,
    "number_observations_unique": 68400,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11800000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 10.46
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.77],
      "number_observations": 64008,
      "number_observations_unique": 10904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.6680000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.831
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.405
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.88],
      "number_observations": 57594,
      "number_observations_unique": 10260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9540000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.052
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.6459999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.00],
      "number_observations": 58406,
      "number_observations_unique": 9616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.573
        },
        {
          "type": "R(meas)",
          "value": 0.627
        },
        {
          "type": "I/SigI",
          "value": 3.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.845
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.17],
      "number_observations": 53045,
      "number_observations_unique": 8845,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.37799999999999995
        },
        {
          "type": "I/SigI",
          "value": 5.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.37],
      "number_observations": 45879,
      "number_observations_unique": 8035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 7.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.65],
      "number_observations": 43730,
      "number_observations_unique": 7139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 13.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.74,3.06],
      "number_observations": 33716,
      "number_observations_unique": 6060,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.07200000000000001
        },
        {
          "type": "I/SigI",
          "value": 23.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.27,3.74],
      "number_observations": 28616,
      "number_observations_unique": 4784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "I/SigI",
          "value": 39.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [45.78,5.27],
      "number_observations": 14898,
      "number_observations_unique": 2757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 41.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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