Data quality metrics extracted from 7iht.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": "9d168a2debf03c9ef989e4713ccc5996",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.35,
    "b": 73.12,
    "c": 52.58,
    "alpha": 90.0,
    "beta": 109.3,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.51,1.15],
    "number_observations": 372933,
    "number_observations_unique": 109397,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 7.59
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.22,1.15],
      "number_observations": 57597,
      "number_observations_unique": 16865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.24
        },
        {
          "type": "R(meas)",
          "value": 1.47
        },
        {
          "type": "I/SigI",
          "value": 0.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.408
        }
      ]
    },
    {
      "resolution_limits": [1.3,1.22],
      "number_observations": 53807,
      "number_observations_unique": 16331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.895
        },
        {
          "type": "R(meas)",
          "value": 1.07
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.502
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.30],
      "number_observations": 54430,
      "number_observations_unique": 15499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "R(meas)",
          "value": 0.664
        },
        {
          "type": "I/SigI",
          "value": 2.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.752
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.41],
      "number_observations": 49861,
      "number_observations_unique": 14415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 3.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.54],
      "number_observations": 43796,
      "number_observations_unique": 12954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "R(meas)",
          "value": 0.21
        },
        {
          "type": "I/SigI",
          "value": 6.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.72],
      "number_observations": 40334,
      "number_observations_unique": 11551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 12.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.43,1.99],
      "number_observations": 31616,
      "number_observations_unique": 9733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 17.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.43,2.43],
      "number_observations": 26934,
      "number_observations_unique": 7737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 23.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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