Data quality metrics extracted from 3vpp.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": "f0ff775dbdc8224b0d3c2a5997fdffe6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.170,
    "b": 53.824,
    "c": 57.446,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [1.12710],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.64],
    "number_observations_unique": 56639,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 8.33
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 3.81
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.64],
      "number_observations_unique": 8762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.765
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "Completeness",
          "value": 93.5
        },
        {
          "type": "Redundancy",
          "value": 3.65
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.74],
      "number_observations_unique": 8541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.477
        },
        {
          "type": "I/SigI",
          "value": 3.46
        },
        {
          "type": "Completeness",
          "value": 96.7
        },
        {
          "type": "Redundancy",
          "value": 3.84
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.86],
      "number_observations_unique": 7978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "I/SigI",
          "value": 5.61
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.01],
      "number_observations_unique": 7369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 7.84
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.20],
      "number_observations_unique": 6698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "I/SigI",
          "value": 9.97
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 3.86
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.45],
      "number_observations_unique": 5960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 11.72
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.84
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.83],
      "number_observations_unique": 5072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 14.74
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 3.81
        }
      ]
    },
    {
      "resolution_limits": [4.80,3.44],
      "number_observations_unique": 3962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 17.48
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [20,4.80],
      "number_observations_unique": 2297,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 17.84
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 3.86
        }
      ]
    }
  ]

}
  

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


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