Data quality metrics extracted from 3u6v.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": "d3a51d682034c1ffb50e6e352880f69c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.195,
    "b": 94.125,
    "c": 51.571,
    "alpha": 90.00,
    "beta": 92.53,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.57,2.194],
    "number_observations_unique": 24385,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.317
      },
      {
        "type": "I/SigI",
        "value": 140.514
      },
      {
        "type": "Completeness",
        "value": 99.590
      },
      {
        "type": "Redundancy",
        "value": 7.510
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.272,2.194],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.916
        }
      ]
    },
    {
      "resolution_limits": [2.363,2.272],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.018
        }
      ]
    },
    {
      "resolution_limits": [2.471,2.363],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [2.601,2.471],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.895
        }
      ]
    },
    {
      "resolution_limits": [2.764,2.601],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.804
        }
      ]
    },
    {
      "resolution_limits": [2.977,2.764],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.628
        }
      ]
    },
    {
      "resolution_limits": [3.277,2.977],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.384
        }
      ]
    },
    {
      "resolution_limits": [3.751,3.277],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        }
      ]
    },
    {
      "resolution_limits": [4.726,3.751],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        }
      ]
    },
    {
      "resolution_limits": [68.57,4.726],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        }
      ]
    }
  ]

}
  

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


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