Data quality metrics extracted from 7ihe.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": "be3715105646189e207b5924663bb5c0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.05,
    "b": 74.28,
    "c": 52.13,
    "alpha": 90.00,
    "beta": 108.89,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.12,1.37],
    "number_observations": 228963,
    "number_observations_unique": 67428,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 8.40
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.37],
      "number_observations": 35962,
      "number_observations_unique": 10723,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.142
        },
        {
          "type": "R(meas)",
          "value": 1.362
        },
        {
          "type": "I/SigI",
          "value": 0.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.377
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.45],
      "number_observations": 34770,
      "number_observations_unique": 10257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.72
        },
        {
          "type": "R(meas)",
          "value": 0.857
        },
        {
          "type": "I/SigI",
          "value": 1.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.619
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.55],
      "number_observations": 31255,
      "number_observations_unique": 9414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 2.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.67],
      "number_observations": 31485,
      "number_observations_unique": 8868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.29
        },
        {
          "type": "I/SigI",
          "value": 4.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.83],
      "number_observations": 27794,
      "number_observations_unique": 8026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 8.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.05],
      "number_observations": 22384,
      "number_observations_unique": 6941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "I/SigI",
          "value": 13.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.9,2.37],
      "number_observations": 21179,
      "number_observations_unique": 5982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 18.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.09,2.90],
      "number_observations": 15203,
      "number_observations_unique": 4626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 26.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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