Data quality metrics extracted from 3tn7.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": "244a9d7b7a9a89867117d3038eb9bf9e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 146.18,
    "b": 55.50,
    "c": 82.77,
    "alpha": 90.00,
    "beta": 124.53,
    "gamma": 90.00
  },
  "wavelengths": [0.98500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.680],
    "number_observations_unique": 47643,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 18.350
      },
      {
        "type": "Completeness",
        "value": 76.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.790,1.680],
      "number_observations": 32400,
      "number_observations_unique": 8001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.430
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 74.100
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.790],
      "number_observations": 29997,
      "number_observations_unique": 6818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 5.580
        },
        {
          "type": "Completeness",
          "value": 80.900
        }
      ]
    },
    {
      "resolution_limits": [2.000,1.900],
      "number_observations": 21880,
      "number_observations_unique": 4907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 8.220
        },
        {
          "type": "Completeness",
          "value": 79.800
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.000],
      "number_observations": 17952,
      "number_observations_unique": 4001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 10.780
        },
        {
          "type": "Completeness",
          "value": 79.700
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.100],
      "number_observations": 14896,
      "number_observations_unique": 3268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 14.050
        },
        {
          "type": "Completeness",
          "value": 78.800
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.200],
      "number_observations": 31771,
      "number_observations_unique": 6852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 18.020
        },
        {
          "type": "Completeness",
          "value": 77.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,2.500],
      "number_observations": 43275,
      "number_observations_unique": 8982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 30.050
        },
        {
          "type": "Completeness",
          "value": 74.000
        }
      ]
    },
    {
      "resolution_limits": [4.600,3.500],
      "number_observations": 13932,
      "number_observations_unique": 2759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 57.970
        },
        {
          "type": "Completeness",
          "value": 69.600
        }
      ]
    },
    {
      "resolution_limits": [8.000,4.600],
      "number_observations": 8868,
      "number_observations_unique": 1683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 58.190
        },
        {
          "type": "Completeness",
          "value": 66.400
        }
      ]
    },
    {
      "resolution_limits": [30.000,8.000],
      "number_observations": 1866,
      "number_observations_unique": 372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 72.350
        },
        {
          "type": "Completeness",
          "value": 60.100
        }
      ]
    }
  ]

}
  

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


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