Data quality metrics extracted from 3sn9.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": "e1df0810f511866019a366495651ebbe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 110.313,
    "b": 136.919,
    "c": 114.663,
    "alpha": 90.00,
    "beta": 100.26,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.07,3.02],
    "number_observations_unique": 58488,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 6.9449
      },
      {
        "type": "Completeness",
        "value": 88.96
      },
      {
        "type": "Redundancy",
        "value": 3.80
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.19,3.02],
      "number_observations": 8487,
      "number_observations_unique": 4120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35
        },
        {
          "type": "I/SigI",
          "value": 2.17
        },
        {
          "type": "Completeness",
          "value": 43.15
        },
        {
          "type": "Redundancy",
          "value": 2.06
        }
      ]
    },
    {
      "resolution_limits": [3.38,3.19],
      "number_observations": 21932,
      "number_observations_unique": 7391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 2.42
        },
        {
          "type": "Completeness",
          "value": 81.81
        },
        {
          "type": "Redundancy",
          "value": 2.97
        }
      ]
    },
    {
      "resolution_limits": [3.61,3.38],
      "number_observations": 31211,
      "number_observations_unique": 8353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 2.71
        },
        {
          "type": "Completeness",
          "value": 98.51
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.61],
      "number_observations": 33035,
      "number_observations_unique": 7918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "I/SigI",
          "value": 3.83
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.17
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.90],
      "number_observations": 30443,
      "number_observations_unique": 7303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 5.45
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.17
        }
      ]
    },
    {
      "resolution_limits": [4.78,4.27],
      "number_observations": 27595,
      "number_observations_unique": 6618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 6.85
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.17
        }
      ]
    },
    {
      "resolution_limits": [5.52,4.78],
      "number_observations": 24344,
      "number_observations_unique": 5842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 6.39
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.17
        }
      ]
    },
    {
      "resolution_limits": [6.76,5.52],
      "number_observations": 20547,
      "number_observations_unique": 4940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 6.53
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.16
        }
      ]
    },
    {
      "resolution_limits": [9.56,6.76],
      "number_observations": 15923,
      "number_observations_unique": 3851,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 13.09
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.13
        }
      ]
    },
    {
      "resolution_limits": [87.07,9.56],
      "number_observations": 8630,
      "number_observations_unique": 2152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 10.48
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 4.01
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 87.070 87.070 3.380
High resolution limit [Å] 3.020 9.560 3.190
R(merge) 0.1120 0.0400 0.3100
Completeness [%] 89.0 99.9 81.8
Multiplicity 3.8 4.0 3.0


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
87.070-9.560 0.0400 99.9 4.0
9.560-6.760 0.0500 100.0 4.1
6.760-5.520 0.1000 100.0 4.2
5.520-4.780 0.1100 100.0 4.2
4.780-4.270 0.1000 100.0 4.2
4.270-3.900 0.1300 100.0 4.2
3.900-3.610 0.1900 100.0 4.2
3.610-3.380 0.2700 98.5 3.7
3.380-3.190 0.3100 81.8 3.0
3.190-3.020 0.3500 43.2 3.1