Data quality metrics extracted from 3u51.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": "7b3f80fdd17607fd49be8769edf06183",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.166,
    "b": 117.250,
    "c": 62.762,
    "alpha": 90.00,
    "beta": 90.08,
    "gamma": 90.00
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.24],
    "number_observations_unique": 27792,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.41],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.6
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.9
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.35],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [4.82,3.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [50,4.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    }
  ]

}
  

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


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