Data quality metrics extracted from 3sn2.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": "0c3a6768731bac1473c6290536c360bd",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 101.675,
    "b": 101.675,
    "c": 281.349,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.7,2.99],
    "number_observations_unique": 30703,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.097,2.990],
      "number_observations_unique": 12398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5509
        },
        {
          "type": "I/SigI",
          "value": 0.753
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 2.19
        }
      ]
    },
    {
      "resolution_limits": [3.221,3.097],
      "number_observations_unique": 12327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4553
        },
        {
          "type": "I/SigI",
          "value": 1.043
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.19
        }
      ]
    },
    {
      "resolution_limits": [3.368,3.221],
      "number_observations_unique": 12402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3525
        },
        {
          "type": "I/SigI",
          "value": 1.467
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.18
        }
      ]
    },
    {
      "resolution_limits": [3.545,3.368],
      "number_observations_unique": 12433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2486
        },
        {
          "type": "I/SigI",
          "value": 2.393
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.19
        }
      ]
    },
    {
      "resolution_limits": [3.767,3.545],
      "number_observations_unique": 12324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1804
        },
        {
          "type": "I/SigI",
          "value": 3.662
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 2.16
        }
      ]
    },
    {
      "resolution_limits": [4.058,3.767],
      "number_observations_unique": 12162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1295
        },
        {
          "type": "I/SigI",
          "value": 5.816
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 2.14
        }
      ]
    },
    {
      "resolution_limits": [4.467,4.058],
      "number_observations_unique": 12183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0863
        },
        {
          "type": "I/SigI",
          "value": 9.875
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.14
        }
      ]
    },
    {
      "resolution_limits": [5.113,4.467],
      "number_observations_unique": 12168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0728
        },
        {
          "type": "I/SigI",
          "value": 13.583
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.16
        }
      ]
    },
    {
      "resolution_limits": [6.442,5.113],
      "number_observations_unique": 12139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0688
        },
        {
          "type": "I/SigI",
          "value": 15.190
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 2.13
        }
      ]
    },
    {
      "resolution_limits": [32.7,6.442],
      "number_observations_unique": 11254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0394
        },
        {
          "type": "I/SigI",
          "value": 30.853
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "Redundancy",
          "value": 2.02
        }
      ]
    }
  ]

}
  

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


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