Data quality metrics extracted from 4e5v.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": "034b008e61b41192985179667796b7cb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.59,
    "b": 95.37,
    "c": 70.60,
    "alpha": 90.00,
    "beta": 102.14,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97941,0.97882],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.832,1.75],
    "number_observations_unique": 51578,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 7.240
      },
      {
        "type": "Completeness",
        "value": 81.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.810,1.750],
      "number_observations": 10084,
      "number_observations_unique": 8490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.366
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 80.300
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.810],
      "number_observations": 11248,
      "number_observations_unique": 9483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 79.000
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.890],
      "number_observations": 9177,
      "number_observations_unique": 7792,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 76.200
        }
      ]
    },
    {
      "resolution_limits": [2.070,1.970],
      "number_observations": 10455,
      "number_observations_unique": 8876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 83.600
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.070],
      "number_observations": 10858,
      "number_observations_unique": 9218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 83.300
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.200],
      "number_observations": 10690,
      "number_observations_unique": 9091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 81.900
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.370],
      "number_observations": 10276,
      "number_observations_unique": 8779,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 7.8
        },
        {
          "type": "Completeness",
          "value": 79.500
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.610],
      "number_observations": 11107,
      "number_observations_unique": 9487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 85.500
        }
      ]
    },
    {
      "resolution_limits": [3.760,2.990],
      "number_observations": 10072,
      "number_observations_unique": 8672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 13.0
        },
        {
          "type": "Completeness",
          "value": 79.400
        }
      ]
    },
    {
      "resolution_limits": [29.832,3.760],
      "number_observations": 10932,
      "number_observations_unique": 9354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 16.2
        },
        {
          "type": "Completeness",
          "value": 84.400
        }
      ]
    }
  ]

}
  

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


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