Data quality metrics extracted from 3tfu.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": "7dcd36bc0cee70af9912178cd96ca362",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.616,
    "b": 66.312,
    "c": 201.279,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.22,1.94],
    "number_observations_unique": 62293,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 17.600
      },
      {
        "type": "Completeness",
        "value": 98.200
      },
      {
        "type": "Redundancy",
        "value": 6.660
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.94],
      "number_observations": 40354,
      "number_observations_unique": 6207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 7.800
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.490
        }
      ]
    },
    {
      "resolution_limits": [2.090,2.000],
      "number_observations": 40902,
      "number_observations_unique": 6243,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 9.200
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.540
        }
      ]
    },
    {
      "resolution_limits": [2.180,2.090],
      "number_observations": 41032,
      "number_observations_unique": 6220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 10.900
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.580
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.180],
      "number_observations": 41516,
      "number_observations_unique": 6269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 12.800
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.610
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.290],
      "number_observations": 41980,
      "number_observations_unique": 6270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 14.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.680
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.440],
      "number_observations": 42697,
      "number_observations_unique": 6304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 14.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.760
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.630],
      "number_observations": 43640,
      "number_observations_unique": 6323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 17.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.890
        }
      ]
    },
    {
      "resolution_limits": [3.310,2.890],
      "number_observations": 45160,
      "number_observations_unique": 6364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 24.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.060
        }
      ]
    },
    {
      "resolution_limits": [4.170,3.310],
      "number_observations": 44395,
      "number_observations_unique": 6386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 30.400
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.800
        }
      ]
    },
    {
      "resolution_limits": [39.220,4.170],
      "number_observations": 36111,
      "number_observations_unique": 5707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 36.000
        },
        {
          "type": "Completeness",
          "value": 85.700
        },
        {
          "type": "Redundancy",
          "value": 6.080
        }
      ]
    }
  ]

}
  

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


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