Data quality metrics extracted from 5r4a.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": "abb3007afd865c135080456e7354d456",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 69.718,
    "b": 69.718,
    "c": 97.720,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.200],
    "number_observations": 4494511,
    "number_observations_unique": 75491,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 8.300
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 59.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.240,1.200],
      "number_observations_unique": 7253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.972
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.240],
      "number_observations_unique": 7413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.788
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 10.300
        }
      ]
    },
    {
      "resolution_limits": [1.350,1.290],
      "number_observations_unique": 7476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.200
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.350],
      "number_observations_unique": 7484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 35.000
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.420],
      "number_observations_unique": 7501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 60.200
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.510],
      "number_observations_unique": 7525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 85.100
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.630],
      "number_observations_unique": 7563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 94.400
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.790],
      "number_observations_unique": 7597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.050],
      "number_observations_unique": 7674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 94.400
        }
      ]
    },
    {
      "resolution_limits": [50.000,2.590],
      "number_observations_unique": 8005,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 90.000
        }
      ]
    }
  ]

}
  

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


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