Data quality metrics extracted from 7ihr.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": "f954b0a523178312a0513ecff293f790",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.35,
    "b": 73.61,
    "c": 52.47,
    "alpha": 90.00,
    "beta": 109.22,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.77,1.18],
    "number_observations": 350974,
    "number_observations_unique": 104810,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 8.06
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations": 52147,
      "number_observations_unique": 16223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.593
        },
        {
          "type": "R(meas)",
          "value": 1.91
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.203
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.25],
      "number_observations": 50487,
      "number_observations_unique": 15851,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.093
        },
        {
          "type": "R(meas)",
          "value": 1.318
        },
        {
          "type": "I/SigI",
          "value": 1.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.339
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.33],
      "number_observations": 51534,
      "number_observations_unique": 14992,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.755
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations": 46322,
      "number_observations_unique": 13789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "R(meas)",
          "value": 0.408
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.58],
      "number_observations": 42526,
      "number_observations_unique": 12422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.217
        },
        {
          "type": "I/SigI",
          "value": 6.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.76],
      "number_observations": 38395,
      "number_observations_unique": 11045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 12.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.04],
      "number_observations": 30266,
      "number_observations_unique": 9206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 19.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.52,2.49],
      "number_observations": 25572,
      "number_observations_unique": 7240,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 28.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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