Data quality metrics extracted from 7ihf.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": "9572f79f2c2726feedd2a5a4fee4aafe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.20,
    "b": 73.26,
    "c": 52.41,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.39,1.3],
    "number_observations": 264785,
    "number_observations_unique": 78046,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 9.97
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.30],
      "number_observations": 41032,
      "number_observations_unique": 12269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.189
        },
        {
          "type": "R(meas)",
          "value": 1.419
        },
        {
          "type": "I/SigI",
          "value": 0.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.38],
      "number_observations": 40896,
      "number_observations_unique": 11989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.727
        },
        {
          "type": "R(meas)",
          "value": 0.865
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.613
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.47],
      "number_observations": 36047,
      "number_observations_unique": 10941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.515
        },
        {
          "type": "I/SigI",
          "value": 2.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.59],
      "number_observations": 35551,
      "number_observations_unique": 10232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 4.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.74],
      "number_observations": 32460,
      "number_observations_unique": 9283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 8.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.24,1.94],
      "number_observations": 25873,
      "number_observations_unique": 7984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 14.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.24],
      "number_observations": 24313,
      "number_observations_unique": 6937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 22.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.88,2.75],
      "number_observations": 18349,
      "number_observations_unique": 5403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 34.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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