Data quality metrics extracted from 7ies.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": "ff6ac8df9c8b7167e880e9413982d688",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 72.78,
    "c": 52.52,
    "alpha": 90.00,
    "beta": 109.23,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.34,1.09],
    "number_observations": 432819,
    "number_observations_unique": 131061,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(meas)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 9.38
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.16,1.09],
      "number_observations": 62396,
      "number_observations_unique": 20795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.283
        },
        {
          "type": "R(meas)",
          "value": 1.563
        },
        {
          "type": "I/SigI",
          "value": 0.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.424
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.16],
      "number_observations": 64861,
      "number_observations_unique": 19834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.855
        },
        {
          "type": "R(meas)",
          "value": 1.024
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.594
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.24],
      "number_observations": 59291,
      "number_observations_unique": 18498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.619
        },
        {
          "type": "R(meas)",
          "value": 0.745
        },
        {
          "type": "I/SigI",
          "value": 1.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.33],
      "number_observations": 59370,
      "number_observations_unique": 17230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 3.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.88
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.46],
      "number_observations": 50885,
      "number_observations_unique": 15417,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.238
        },
        {
          "type": "I/SigI",
          "value": 5.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.63],
      "number_observations": 48946,
      "number_observations_unique": 13764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 11.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.31,1.89],
      "number_observations": 37953,
      "number_observations_unique": 11473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 23.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.31],
      "number_observations": 32201,
      "number_observations_unique": 9061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 36.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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