Data quality metrics extracted from 2gvv.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": "de06003c11ae7735584a866f6f886a49",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.60,
    "b": 83.02,
    "c": 87.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.730],
    "number_observations_unique": 32028,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 22.000
      },
      {
        "type": "Completeness",
        "value": 94.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.73],
      "number_observations_unique": 2884,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.466
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.79],
      "number_observations_unique": 3042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.86],
      "number_observations_unique": 3139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.95],
      "number_observations_unique": 3117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.05],
      "number_observations_unique": 3189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.18],
      "number_observations_unique": 3191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.35],
      "number_observations_unique": 3246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.58],
      "number_observations_unique": 3305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        }
      ]
    },
    {
      "resolution_limits": [3.73,2.96],
      "number_observations_unique": 3364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        }
      ]
    },
    {
      "resolution_limits": [30.00,3.73],
      "number_observations_unique": 3551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        }
      ]
    }
  ]

}
  

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


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