Data quality metrics extracted from 7iia.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": "bff2f23a5c56da7d3652d9f355a81b7f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.46,
    "b": 73.33,
    "c": 52.81,
    "alpha": 90.0,
    "beta": 109.5,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.68,1.39],
    "number_observations": 295104,
    "number_observations_unique": 65751,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 8.16
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.39],
      "number_observations": 42415,
      "number_observations_unique": 10298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.404
        },
        {
          "type": "R(meas)",
          "value": 1.612
        },
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.437
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.47],
      "number_observations": 43297,
      "number_observations_unique": 10030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.942
        },
        {
          "type": "R(meas)",
          "value": 1.075
        },
        {
          "type": "I/SigI",
          "value": 1.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.651
        }
      ]
    },
    {
      "resolution_limits": [1.7,1.57],
      "number_observations": 43963,
      "number_observations_unique": 9324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "R(meas)",
          "value": 0.688
        },
        {
          "type": "I/SigI",
          "value": 2.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.70],
      "number_observations": 40479,
      "number_observations_unique": 8553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 4.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.86],
      "number_observations": 36020,
      "number_observations_unique": 7795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "R(meas)",
          "value": 0.231
        },
        {
          "type": "I/SigI",
          "value": 7.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.08],
      "number_observations": 29604,
      "number_observations_unique": 6887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.40],
      "number_observations": 25689,
      "number_observations_unique": 5800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 16.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.14,2.94],
      "number_observations": 21872,
      "number_observations_unique": 4530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 28.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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