Data quality metrics extracted from 3u71.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": "71f20b9d4cfe798b803c179600c01655",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 45.928,
    "b": 45.928,
    "c": 99.960,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.98,2.697],
    "number_observations_unique": 3193,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.200
      },
      {
        "type": "I/SigI",
        "value": 91.204
      },
      {
        "type": "Completeness",
        "value": 98.760
      },
      {
        "type": "Redundancy",
        "value": 8.180
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.794,2.697],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        }
      ]
    },
    {
      "resolution_limits": [2.906,2.794],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.333
        }
      ]
    },
    {
      "resolution_limits": [3.038,2.906],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        }
      ]
    },
    {
      "resolution_limits": [3.198,3.038],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        }
      ]
    },
    {
      "resolution_limits": [3.398,3.198],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        }
      ]
    },
    {
      "resolution_limits": [3.661,3.398],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        }
      ]
    },
    {
      "resolution_limits": [4.029,3.661],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        }
      ]
    },
    {
      "resolution_limits": [4.612,4.029],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        }
      ]
    },
    {
      "resolution_limits": [5.809,4.612],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        }
      ]
    },
    {
      "resolution_limits": [49.98,5.809],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        }
      ]
    }
  ]

}
  

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


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