Data quality metrics extracted from 7iat.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "c994f06c29b178f2581aa6c3521e626b",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 60.54,
    "b": 60.54,
    "c": 214.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.98,1.53],
    "number_observations": 699066,
    "number_observations_unique": 61473,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057999999999999996
      },
      {
        "type": "R(meas)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 22.07
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.53],
      "number_observations": 113552,
      "number_observations_unique": 9724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3
        },
        {
          "type": "R(meas)",
          "value": 1.36
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.62],
      "number_observations": 101028,
      "number_observations_unique": 9206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.799
        },
        {
          "type": "R(meas)",
          "value": 0.8390000000000001
        },
        {
          "type": "I/SigI",
          "value": 2.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.8540000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.73],
      "number_observations": 102399,
      "number_observations_unique": 8555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        },
        {
          "type": "R(meas)",
          "value": 0.434
        },
        {
          "type": "I/SigI",
          "value": 5.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.87],
      "number_observations": 93427,
      "number_observations_unique": 7947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "R(meas)",
          "value": 0.21899999999999997
        },
        {
          "type": "I/SigI",
          "value": 11.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.05],
      "number_observations": 80789,
      "number_observations_unique": 7207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 20.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.29],
      "number_observations": 76623,
      "number_observations_unique": 6424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 30.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.24,2.65],
      "number_observations": 58178,
      "number_observations_unique": 5477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 50.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.57,3.24],
      "number_observations": 47836,
      "number_observations_unique": 4347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "I/SigI",
          "value": 79.01
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [41.98,4.57],
      "number_observations": 25234,
      "number_observations_unique": 2586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 82.73
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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