Data quality metrics extracted from 4ruy.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": "754119fd88e2162631a67988f80ca992",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.271,
    "b": 41.107,
    "c": 71.663,
    "alpha": 90.00,
    "beta": 104.29,
    "gamma": 90.00
  },
  "wavelengths": [0.91770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.14],
    "number_observations_unique": 85660,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.28],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.35],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [2.45,1.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [20,2.45],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    }
  ]

}
  

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


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