Data quality metrics extracted from 3ott.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": "c1c08bf73c42e32f82e320aaf68e2d6e",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 88.173,
    "b": 88.173,
    "c": 432.956,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.25441],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.2700,2.000],
    "number_observations_unique": 194236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.132
      },
      {
        "type": "I/SigI",
        "value": 11.900
      },
      {
        "type": "Completeness",
        "value": 89.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 16104,
      "number_observations_unique": 8048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 50.400
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.050],
      "number_observations": 19894,
      "number_observations_unique": 9078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 58.200
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.110],
      "number_observations": 24312,
      "number_observations_unique": 10290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 67.700
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.170],
      "number_observations": 46023,
      "number_observations_unique": 12299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 83.400
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.240],
      "number_observations": 76138,
      "number_observations_unique": 14092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 87427,
      "number_observations_unique": 13813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.390],
      "number_observations": 84285,
      "number_observations_unique": 13322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.480],
      "number_observations": 81599,
      "number_observations_unique": 12868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.580],
      "number_observations": 78087,
      "number_observations_unique": 12261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.700],
      "number_observations": 75243,
      "number_observations_unique": 11798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.830],
      "number_observations": 71269,
      "number_observations_unique": 11128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 9.6
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.980],
      "number_observations": 67923,
      "number_observations_unique": 10592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 13.1
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.160],
      "number_observations": 63916,
      "number_observations_unique": 9953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 17.1
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.380],
      "number_observations": 59609,
      "number_observations_unique": 9266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 23.6
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.650],
      "number_observations": 54851,
      "number_observations_unique": 8507,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 28.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.000],
      "number_observations": 49236,
      "number_observations_unique": 7647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 36.3
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.160,4.470],
      "number_observations": 44194,
      "number_observations_unique": 6828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 40.9
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.320,5.160],
      "number_observations": 36913,
      "number_observations_unique": 5678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 35.2
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [8.940,6.320],
      "number_observations": 28473,
      "number_observations_unique": 4391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 39.9
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [89.800,8.940],
      "number_observations": 15153,
      "number_observations_unique": 2377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 60.0
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.270 89.800 2.110
High resolution limit [Å] 2.000 8.940 2.050
R(merge) 0.1320 0.0160 0.0160
Completeness [%] 89.8 98.3 58.2


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

Resolution [Å] R(merge) Completeness [%]
89.800-8.940 0.0160 98.3
8.940-6.320 0.0160 99.4
6.320-5.160 0.0160 99.7
5.160-4.470 0.0160 99.9
4.470-4.000 0.0160 99.9
4.000-3.650 0.0160 100.0
3.650-3.380 0.0160 100.0
3.380-3.160 0.0160 100.0
3.160-2.980 0.0160 100.0
2.980-2.830 0.0160 100.0
2.830-2.700 0.0160 100.0
2.700-2.580 0.0160 100.0
2.580-2.480 0.0160 100.0
2.480-2.390 0.0160 100.0
2.390-2.310 0.0160 100.0
2.310-2.240 0.0160 98.4
2.240-2.170 0.0160 83.4
2.170-2.110 0.0160 67.7
2.110-2.050 0.0160 58.2
2.050-2.000 0.0160 50.4