Data quality metrics extracted from 3vxf.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": "1304690b40b1143c9ef8111e6aa83b9b",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 80.998,
    "b": 107.800,
    "c": 45.888,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,2.60000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.6],
    "number_observations_unique": 51182,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 34.5
      },
      {
        "type": "Completeness",
        "value": 95.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 10.9
        },
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 13.8
        },
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 17.9
        },
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 22.7
        },
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 29.1
        },
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 39.7
        },
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [3.45,2.74],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 44.9
        },
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,3.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 45.6
        },
        {
          "type": "Completeness",
          "value": 75.3
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "Completeness",
          "value": 70.1
        }
      ]
    }
  ]

}
  

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


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