Data quality metrics extracted from 5bod.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": "fb21b5d673f7fb00048f1953344374d2",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 73.402,
    "b": 94.458,
    "c": 60.967,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42,2.2],
    "number_observations": 139184,
    "number_observations_unique": 12502,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "I/SigI",
        "value": 15.54
      },
      {
        "type": "Completeness",
        "value": 97.880
      },
      {
        "type": "Redundancy",
        "value": 11.130
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.170,2.095],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 3.05
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 5.86
        }
      ]
    },
    {
      "resolution_limits": [2.257,2.170],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        }
      ]
    },
    {
      "resolution_limits": [2.359,2.257],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        }
      ]
    },
    {
      "resolution_limits": [2.484,2.359],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        }
      ]
    },
    {
      "resolution_limits": [2.639,2.484],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        }
      ]
    },
    {
      "resolution_limits": [2.843,2.639],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        }
      ]
    },
    {
      "resolution_limits": [3.129,2.843],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [3.582,3.129],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        }
      ]
    },
    {
      "resolution_limits": [4.512,3.582],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        }
      ]
    },
    {
      "resolution_limits": [42,4.512],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        }
      ]
    }
  ]

}
  

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


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