Data quality metrics extracted from 7ier.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": "c59f4caa439ac489d3cf2d652b0893d2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 73.23,
    "c": 52.58,
    "alpha": 90.00,
    "beta": 109.11,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.48,1.29],
    "number_observations": 263475,
    "number_observations_unique": 78271,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 9.41
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.37,1.29],
      "number_observations": 39562,
      "number_observations_unique": 12054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.954
        },
        {
          "type": "R(meas)",
          "value": 1.142
        },
        {
          "type": "I/SigI",
          "value": 1.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.44
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.37],
      "number_observations": 41201,
      "number_observations_unique": 12039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.607
        },
        {
          "type": "R(meas)",
          "value": 0.722
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.68
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.47],
      "number_observations": 36685,
      "number_observations_unique": 11127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.451
        },
        {
          "type": "I/SigI",
          "value": 3.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.59],
      "number_observations": 35058,
      "number_observations_unique": 10322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 5.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.939
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.74],
      "number_observations": 32347,
      "number_observations_unique": 9314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 9.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.24,1.94],
      "number_observations": 25697,
      "number_observations_unique": 7991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 15.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.24],
      "number_observations": 24043,
      "number_observations_unique": 6971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 20.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.87,2.74],
      "number_observations": 18615,
      "number_observations_unique": 5429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 28.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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