Data quality metrics extracted from 3gn9.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": "fdc7451cd275202d9f6aefb463215c2d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.18,
    "b": 104.51,
    "c": 55.41,
    "alpha": 90.00,
    "beta": 106.16,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.9,1.86],
    "number_observations_unique": 78730,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.029
      },
      {
        "type": "Completeness",
        "value": 86.700
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.86],
      "number_observations": 11925,
      "number_observations_unique": 5544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 81.50
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.91],
      "number_observations": 11637,
      "number_observations_unique": 5365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 82.10
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.96],
      "number_observations": 11392,
      "number_observations_unique": 5260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 83.30
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.02],
      "number_observations": 11133,
      "number_observations_unique": 5154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 83.30
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.08],
      "number_observations": 10923,
      "number_observations_unique": 5083,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 84.60
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.15],
      "number_observations": 10583,
      "number_observations_unique": 4956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 85.40
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.22],
      "number_observations": 10079,
      "number_observations_unique": 4738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 84.90
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.31],
      "number_observations": 9920,
      "number_observations_unique": 4679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 86.50
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.40],
      "number_observations": 9448,
      "number_observations_unique": 4475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 13.0
        },
        {
          "type": "Completeness",
          "value": 86.90
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.51],
      "number_observations": 9105,
      "number_observations_unique": 4336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 88.20
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.63],
      "number_observations": 8685,
      "number_observations_unique": 4159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 18.4
        },
        {
          "type": "Completeness",
          "value": 88.60
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.77],
      "number_observations": 8214,
      "number_observations_unique": 3971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 23.2
        },
        {
          "type": "Completeness",
          "value": 89.10
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.94],
      "number_observations": 7683,
      "number_observations_unique": 3729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 28.5
        },
        {
          "type": "Completeness",
          "value": 89.90
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.14],
      "number_observations": 7119,
      "number_observations_unique": 3478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 31.5
        },
        {
          "type": "Completeness",
          "value": 90.70
        }
      ]
    },
    {
      "resolution_limits": [3.72,3.40],
      "number_observations": 6609,
      "number_observations_unique": 3266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 36.7
        },
        {
          "type": "Completeness",
          "value": 90.30
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.72],
      "number_observations": 5924,
      "number_observations_unique": 2951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 40.5
        },
        {
          "type": "Completeness",
          "value": 92.10
        }
      ]
    },
    {
      "resolution_limits": [4.80,4.16],
      "number_observations": 5359,
      "number_observations_unique": 2686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 41.6
        },
        {
          "type": "Completeness",
          "value": 93.00
        }
      ]
    },
    {
      "resolution_limits": [5.88,4.80],
      "number_observations": 4473,
      "number_observations_unique": 2259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 41.2
        },
        {
          "type": "Completeness",
          "value": 94.40
        }
      ]
    },
    {
      "resolution_limits": [8.32,5.88],
      "number_observations": 3446,
      "number_observations_unique": 1748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 42.0
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [38.9,8.32],
      "number_observations": 1699,
      "number_observations_unique": 893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 43.1
        },
        {
          "type": "Completeness",
          "value": 87.20
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 38.900 38.900 1.960
High resolution limit [Å] 1.860 8.320 1.910
R(merge) 0.0290 0.0160 0.3140
Completeness [%] 86.7 87.2 82.1
Multiplicity 2.1 - -


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

Resolution [Å] R(merge) Completeness [%]
38.900-8.320 0.0160 87.2
8.320-5.880 0.0170 94.3
5.880-4.800 0.0160 94.4
4.800-4.160 0.0170 93.0
4.160-3.720 0.0180 92.1
3.720-3.400 0.0190 90.3
3.400-3.140 0.0200 90.7
3.140-2.940 0.0230 89.9
2.940-2.770 0.0300 89.1
2.770-2.630 0.0370 88.6
2.630-2.510 0.0440 88.2
2.510-2.400 0.0540 86.9
2.400-2.310 0.0680 86.5
2.310-2.220 0.0950 84.9
2.220-2.150 0.1100 85.4
2.150-2.080 0.1410 84.6
2.080-2.020 0.1810 83.3
2.020-1.960 0.2420 83.3
1.960-1.910 0.3140 82.1
1.910-1.860 0.4860 81.5