Data quality metrics extracted from 3v3o.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": "a7e90a17ff1b75bc9b736f5477620cf1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.126,
    "b": 80.080,
    "c": 87.238,
    "alpha": 111.02,
    "beta": 89.97,
    "gamma": 92.97
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.945,2.900],
    "number_observations_unique": 37001,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 96.74
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.96,2.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.5
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.4
        }
      ]
    },
    {
      "resolution_limits": [3.08,3.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    },
    {
      "resolution_limits": [3.15,3.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [3.23,3.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [3.32,3.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [4.18,3.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [4.44,4.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [4.79,4.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [5.27,4.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [6.03,5.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [7.59,6.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [50.00,7.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    }
  ]

}
  

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


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