Data quality metrics extracted from 4hpe.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": "332aab1a7377f2e9a21f32b323f71221",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 65.522,
    "b": 101.211,
    "c": 101.436,
    "alpha": 109.71,
    "beta": 108.86,
    "gamma": 101.36
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.396,2.38],
    "number_observations_unique": 76631,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 6.530
      },
      {
        "type": "Completeness",
        "value": 84.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.460,2.380],
      "number_observations": 25297,
      "number_observations_unique": 13065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 78.900
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.460],
      "number_observations": 31815,
      "number_observations_unique": 16077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 89.900
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.560],
      "number_observations": 31734,
      "number_observations_unique": 16048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 88.500
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.680],
      "number_observations": 28347,
      "number_observations_unique": 14427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 82.900
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.820],
      "number_observations": 31306,
      "number_observations_unique": 15823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 88.700
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.000],
      "number_observations": 30159,
      "number_observations_unique": 15275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 87.900
        }
      ]
    },
    {
      "resolution_limits": [3.550,3.230],
      "number_observations": 28042,
      "number_observations_unique": 14258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 82.500
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.550],
      "number_observations": 29514,
      "number_observations_unique": 14931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 10.9
        },
        {
          "type": "Completeness",
          "value": 84.700
        }
      ]
    },
    {
      "resolution_limits": [5.100,4.060],
      "number_observations": 28194,
      "number_observations_unique": 14350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 13.1
        },
        {
          "type": "Completeness",
          "value": 82.000
        }
      ]
    },
    {
      "resolution_limits": [49.396,5.100],
      "number_observations": 29002,
      "number_observations_unique": 14737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 13.9
        },
        {
          "type": "Completeness",
          "value": 82.600
        }
      ]
    }
  ]

}
  

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


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