Data quality metrics extracted from 3vwr.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": "4b1bc9f990862d99857b98118645a7db",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 96.36,
    "b": 96.36,
    "c": 112.85,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.380,1.600],
    "number_observations_unique": 80141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 21.800
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 4.820
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.600],
      "number_observations": 21832,
      "number_observations_unique": 7342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 91.900
        },
        {
          "type": "Redundancy",
          "value": 2.960
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.650],
      "number_observations": 37500,
      "number_observations_unique": 8001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 6.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.660
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.720],
      "number_observations": 39499,
      "number_observations_unique": 7983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 8.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.910
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.800],
      "number_observations": 40054,
      "number_observations_unique": 8035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 10.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.940
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.890],
      "number_observations": 40417,
      "number_observations_unique": 8028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 13.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.010
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.010],
      "number_observations": 40792,
      "number_observations_unique": 8043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 17.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.030
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.170],
      "number_observations": 41187,
      "number_observations_unique": 8065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 21.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.080
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.380],
      "number_observations": 42114,
      "number_observations_unique": 8100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 28.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.160
        }
      ]
    },
    {
      "resolution_limits": [3.440,2.730],
      "number_observations": 42747,
      "number_observations_unique": 8166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 38.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.190
        }
      ]
    },
    {
      "resolution_limits": [30.380,3.440],
      "number_observations": 43430,
      "number_observations_unique": 8378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 55.800
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.120
        }
      ]
    }
  ]

}
  

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


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