Data quality metrics extracted from 3rle.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": "5e60abea97f8e19d05403c080d3c3287",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 88.040,
    "b": 88.040,
    "c": 61.195,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.25,1.649],
    "number_observations_unique": 26966,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 58.0
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 12.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.649],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 75.3
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 80.4
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.74],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.8
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.7
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.86],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.9],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [4.48,3.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [50,4.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    }
  ]

}
  

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


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